[3-methoxy-4-(2-methylphenyl)phenyl]-[9-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone

Systemtic Name: [3-methoxy-4-(2-methylphenyl)phenyl]-[9-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone Openeye Name: [3-methoxy-4-(o-tolyl)phenyl]-[9-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone CAS Name: [3-methoxy-4-(2-methylphenyl)phenyl]-[9-[oxo-[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone IUPAC Name: [3-methoxy-4-(2-methylphenyl)phenyl]-[9-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone Traditional Name: [3-methoxy-4-(o-tolyl)phenyl]-[9-[2-(pyrrolidinomethyl)pyrrolidine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone Formula: C37H40N4O3 MolecularWeight: 588.7385

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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)N6CCCC6CN7CCCC7)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)N6CCCC6CN7CCCC7)OC

InChI

InChI=1S/C37H40N4O3/c1-26-10-3-5-13-31(26)32-17-15-27(22-35(32)44-2)36(42)41-25-30-16-18-34(40(30)23-28-11-4-6-14-33(28)41)37(43)39-21-9-12-29(39)24-38-19-7-8-20-38/h3-6,10-11,13-18,22,29H,7-9,12,19-21,23-25H2,1-2H3