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

Systemtic Name: 1-(3-methylbutanoyl)-2-(4-methylphenyl)-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(3-methylbutanoyl)-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 1-(3-methyl-1-oxobutyl)-2-(4-methylphenyl)-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 1-(3-methylbutanoyl)-2-(4-methylphenyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-isovaleryl-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C26H32N4O3 MolecularWeight: 448.55728

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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=CC(=C3)C(=O)N4CCNCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3/c1-17(2)14-25(32)30-22-9-8-20(26(33)29-12-10-27-11-13-29)15-21(22)28-24(31)16-23(30)19-6-4-18(3)5-7-19/h4-9,15,17,23,27H,10-14,16H2,1-3H3,(H,28,31)