N-methyl-5-[4-(2-methylphenyl)phenyl]carbonyl-N-(2-pyridin-2-ylethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: N-methyl-5-[4-(2-methylphenyl)phenyl]carbonyl-N-(2-pyridin-2-ylethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: N-methyl-5-[4-(o-tolyl)benzoyl]-N-[2-(2-pyridyl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: N-methyl-5-[[4-(2-methylphenyl)phenyl]-oxomethyl]-N-[2-(2-pyridinyl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: N-methyl-5-[4-(2-methylphenyl)benzoyl]-N-(2-pyridin-2-ylethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: N-methyl-5-[4-(o-tolyl)benzoyl]-N-[2-(2-pyridyl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C35H32N4O2 MolecularWeight: 540.65418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)N(C)CCC6=CC=CC=N6

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)N(C)CCC6=CC=CC=N6

InChI

InChI=1S/C35H32N4O2/c1-25-9-3-5-12-31(25)26-14-16-27(17-15-26)34(40)39-24-30-18-19-33(38(30)23-28-10-4-6-13-32(28)39)35(41)37(2)22-20-29-11-7-8-21-36-29/h3-19,21H,20,22-24H2,1-2H3