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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > quinolines > 3-[(3as,4r,9bs)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2h-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
... > 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 aromatic compound > quinolines > 3-[(3as,4r,9bs)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2h-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > quinolines > 3-[(3as,4r,9bs)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2h-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > quinolines > 3-[(3as,4r,9bs)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2h-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinolines > 3-[(3as,4r,9bs)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2h-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
... > 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 > quinolines > 3-[(3as,4r,9bs)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2h-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinolines > 3-[(3as,4r,9bs)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2h-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile

Preferred term

3-[(3as,4r,9bs)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2h-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C27H27N3O3S

inchi

  • InChI=1S/C27H27N3O3S/c1-18-6-3-4-9-26(18)34(32,33)30-13-12-22-25(17-31)29(2)24-11-10-21(15-23(24)27(22)30)20-8-5-7-19(14-20)16-28/h3-11,14-15,22,25,27,31H,12-13,17H2,1-2H3/t22-,25-,27-/m0/s1

inchikey

  • NGROXWJPGSKSFY-LNBJVWSJSA-N

mass

  • 473.589

monoisotopicmass

  • 473.17731

smiles

  • CC1=CC=CC=C1S(=O)(=O)N2CC[C@@H]3[C@H]2C4=C(C=CC(=C4)C5=CC=CC(=C5)C#N)N([C@H]3CO)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129388

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