1-(3,3-dimethylbutanoyl)-2-(4-methylphenyl)-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 1-(3,3-dimethylbutanoyl)-2-(4-methylphenyl)-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(3,3-dimethylbutanoyl)-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 1-(3,3-dimethyl-1-oxobutyl)-2-(4-methylphenyl)-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 1-(3,3-dimethylbutanoyl)-2-(4-methylphenyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-(3,3-dimethylbutanoyl)-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CC(C)(C)C)C=CC(=C3)C(=O)N4CCNCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CC(C)(C)C)C=CC(=C3)C(=O)N4CCNCC4

InChI

InChI=1S/C27H34N4O3/c1-18-5-7-19(8-6-18)23-16-24(32)29-21-15-20(26(34)30-13-11-28-12-14-30)9-10-22(21)31(23)25(33)17-27(2,3)4/h5-10,15,23,28H,11-14,16-17H2,1-4H3,(H,29,32)