1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenoxy]ethanone

Systemtic Name: 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenoxy]ethanone Openeye Name: 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenoxy]ethanone CAS Name: 1-[4-(3,3-dimethylbutyl)-1-piperazinyl]-2-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-oxomethyl]phenoxy]ethanone IUPAC Name: 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenoxy]ethanone Traditional Name: 1-[4-(3,3-dimethylbutyl)piperazino]-2-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenoxy]ethanone Formula: C31H40N6O3 MolecularWeight: 544.6877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)OCC(=O)N5CCN(CC5)CCC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)OCC(=O)N5CCN(CC5)CCC(C)(C)C

InChI

InChI=1S/C31H40N6O3/c1-22-18-23(30(39)37-20-24-19-32-34(5)29(24)33-25-8-6-7-9-26(25)37)10-11-27(22)40-21-28(38)36-16-14-35(15-17-36)13-12-31(2,3)4/h6-11,18-19,32H,12-17,20-21H2,1-5H3