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

Systemtic Name: 7-(1,4-diazepan-1-ylcarbonyl)-1-(3-methylbutanoyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 7-(1,4-diazepane-1-carbonyl)-1-(3-methylbutanoyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 7-[1,4-diazepan-1-yl(oxo)methyl]-1-(3-methyl-1-oxobutyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 7-(1,4-diazepane-1-carbonyl)-1-(3-methylbutanoyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 7-(1,4-diazepane-1-carbonyl)-1-isovaleryl-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=CC(=C3)C(=O)N4CCCNCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CC(C)C)C=CC(=C3)C(=O)N4CCCNCC4

InChI

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