N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-methoxy-4-(2-methylphenyl)phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-methoxy-4-(2-methylphenyl)phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-methoxy-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[3-methoxy-4-(2-methylphenyl)phenyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-methoxy-4-(2-methylphenyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: N-homoveratryl-5-[3-methoxy-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C38H37N3O5 MolecularWeight: 615.71748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCCC6=CC(=C(C=C6)OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCCC6=CC(=C(C=C6)OC)OC)OC

InChI

InChI=1S/C38H37N3O5/c1-25-9-5-7-11-30(25)31-16-14-27(22-35(31)45-3)38(43)41-24-29-15-17-33(40(29)23-28-10-6-8-12-32(28)41)37(42)39-20-19-26-13-18-34(44-2)36(21-26)46-4/h5-18,21-22H,19-20,23-24H2,1-4H3,(H,39,42)