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

Systemtic Name: 5-[3-methoxy-4-(2-methylphenyl)phenyl]carbonyl-N-methyl-N-(2-pyridin-4-ylethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: 5-[3-methoxy-4-(o-tolyl)benzoyl]-N-methyl-N-[2-(4-pyridyl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[[3-methoxy-4-(2-methylphenyl)phenyl]-oxomethyl]-N-methyl-N-(2-pyridin-4-ylethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: 5-[3-methoxy-4-(2-methylphenyl)benzoyl]-N-methyl-N-(2-pyridin-4-ylethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-[3-methoxy-4-(o-tolyl)benzoyl]-N-methyl-N-[2-(4-pyridyl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C36H34N4O3 MolecularWeight: 570.68016

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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)N(C)CCC6=CC=NC=C6)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)N(C)CCC6=CC=NC=C6)OC

InChI

InChI=1S/C36H34N4O3/c1-25-8-4-6-10-30(25)31-14-12-27(22-34(31)43-3)35(41)40-24-29-13-15-33(39(29)23-28-9-5-7-11-32(28)40)36(42)38(2)21-18-26-16-19-37-20-17-26/h4-17,19-20,22H,18,21,23-24H2,1-3H3