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

Systemtic Name: 5-[3-methyl-4-(2-methylphenyl)phenyl]carbonyl-N-[[3-(trifluoromethyl)phenyl]methyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: 5-[3-methyl-4-(o-tolyl)benzoyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[[3-methyl-4-(2-methylphenyl)phenyl]-oxomethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: 5-[3-methyl-4-(2-methylphenyl)benzoyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-[3-methyl-4-(o-tolyl)benzoyl]-N-[3-(trifluoromethyl)benzyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C36H30F3N3O2 MolecularWeight: 593.63751

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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)NCC6=CC(=CC=C6)C(F)(F)F)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCC6=CC(=CC=C6)C(F)(F)F)C

InChI

InChI=1S/C36H30F3N3O2/c1-23-8-3-5-12-30(23)31-16-14-26(18-24(31)2)35(44)42-22-29-15-17-33(41(29)21-27-10-4-6-13-32(27)42)34(43)40-20-25-9-7-11-28(19-25)36(37,38)39/h3-19H,20-22H2,1-2H3,(H,40,43)