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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-5-[3-methoxy-4-(2-methylphenyl)phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-5-[3-methoxy-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-5-[[3-methoxy-4-(2-methylphenyl)phenyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-5-[3-methoxy-4-(2-methylphenyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-5-[3-methoxy-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C36H32ClN3O3 MolecularWeight: 590.11058

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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)Cl)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)Cl)OC

InChI

InChI=1S/C36H32ClN3O3/c1-24-7-3-5-9-30(24)31-17-13-26(21-34(31)43-2)36(42)40-23-29-16-18-33(39(29)22-27-8-4-6-10-32(27)40)35(41)38-20-19-25-11-14-28(37)15-12-25/h3-18,21H,19-20,22-23H2,1-2H3,(H,38,41)