3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]-1-[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]-1-[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]propan-1-one Openeye Name: 3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]-1-[4-[2-oxo-2-(p-tolyl)ethyl]piperazin-1-yl]propan-1-one CAS Name: 3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-oxomethyl]phenyl]-1-[4-[2-(4-methylphenyl)-2-oxoethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]-1-[4-[2-(4-methylphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[2-keto-2-(p-tolyl)ethyl]piperazino]-3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]propan-1-one Formula: C35H38N6O3 MolecularWeight: 590.71462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C(=O)CCC3=C(C=C(C=C3)C(=O)N4CC5=CNN(C5=NC6=CC=CC=C64)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C(=O)CCC3=C(C=C(C=C3)C(=O)N4CC5=CNN(C5=NC6=CC=CC=C64)C)C

InChI

InChI=1S/C35H38N6O3/c1-24-8-10-27(11-9-24)32(42)23-39-16-18-40(19-17-39)33(43)15-14-26-12-13-28(20-25(26)2)35(44)41-22-29-21-36-38(3)34(29)37-30-6-4-5-7-31(30)41/h4-13,20-21,36H,14-19,22-23H2,1-3H3