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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > harmala alkaloid > cyclobutyl-[(1r)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1r)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1r)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1r)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1r)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1r)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1r)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1r)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1r)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1r)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

Preferred term

cyclobutyl-[(1r)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C27H29F2N3O3

inchi

  • InChI=1S/C27H29F2N3O3/c1-35-19-6-7-20-22(10-19)30-25-23(12-33)31(11-17-9-18(28)5-8-21(17)29)13-27(24(20)25)14-32(15-27)26(34)16-3-2-4-16/h5-10,16,23,30,33H,2-4,11-15H2,1H3/t23-/m0/s1

inchikey

  • KWQYOPXXHRJLFX-QHCPKHFHSA-N

mass

  • 481.535

monoisotopicmass

  • 481.21770

smiles

  • COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CN(C4)C(=O)C5CCC5)CC6=C(C=CC(=C6)F)F)CO

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130417

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