1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]pentan-1-one

Systemtic Name: 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]pentan-1-one Openeye Name: 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]pentan-1-one CAS Name: 1-[4-(3,3-dimethylbutyl)-1-piperazinyl]-5-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-oxomethyl]phenyl]-1-pentanone IUPAC Name: 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]pentan-1-one Traditional Name: 1-[4-(3,3-dimethylbutyl)piperazino]-5-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]pentan-1-one Formula: C34H46N6O2 MolecularWeight: 570.76804

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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)CCCCC(=O)N5CCN(CC5)CCC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C34H46N6O2/c1-25-22-27(33(42)40-24-28-23-35-37(5)32(28)36-29-11-7-8-12-30(29)40)15-14-26(25)10-6-9-13-31(41)39-20-18-38(19-21-39)17-16-34(2,3)4/h7-8,11-12,14-15,22-23,35H,6,9-10,13,16-21,24H2,1-5H3