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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 > [(1s)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)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 > [(1s)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)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 > [(1s)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)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 > [(1s)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)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 > [(1s)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)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 > [(1s)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)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 > [(1s)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > [(1s)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > [(1s)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone

Preferred term

[(1s)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone  

Type

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

Broader concept

charge

  • 0

formula

  • C30H36FN3O4

inchi

  • InChI=1S/C30H36FN3O4/c1-37-23-5-6-24-25(16-23)32-28-26(18-35)34(29(36)21-7-13-38-14-8-21)19-30(27(24)28)9-11-33(12-10-30)17-20-3-2-4-22(31)15-20/h2-6,15-16,21,26,32,35H,7-14,17-19H2,1H3/t26-/m1/s1

inchikey

  • IWQQPQHTVOLVIH-AREMUKBSSA-N

mass

  • 521.624

monoisotopicmass

  • 521.26898

smiles

  • COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)CC5=CC(=CC=C5)F)C(=O)C6CCOCC6)CO

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127280

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