1-(azepan-1-yl)-4-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-phenyl-butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-phenyl-butan-1-one Openeye Name: 1-(azepan-1-yl)-4-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-phenyl-butan-1-one CAS Name: 1-(1-azepanyl)-4-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-phenyl-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-phenylbutan-1-one Traditional Name: 1-(azepan-1-yl)-4-(9-methyl-3,4-dihydro-1H-$b-carbolin-2-yl)-2-phenyl-butan-1-one Formula: C28H35N3O MolecularWeight: 429.597

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CCN(C2)CCC(C3=CC=CC=C3)C(=O)N4CCCCCC4)C5=CC=CC=C51

Isomeric SMILES

CN1C2=C(CCN(C2)CCC(C3=CC=CC=C3)C(=O)N4CCCCCC4)C5=CC=CC=C51

InChI

InChI=1S/C28H35N3O/c1-29-26-14-8-7-13-24(26)25-16-20-30(21-27(25)29)19-15-23(22-11-5-4-6-12-22)28(32)31-17-9-2-3-10-18-31/h4-8,11-14,23H,2-3,9-10,15-21H2,1H3