3-azanyl-1-(2,2-dimethylbutanoyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: 3-azanyl-1-(2,2-dimethylbutanoyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 3-amino-1-(2,2-dimethylbutanoyl)-7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 3-amino-1-(2,2-dimethyl-1-oxobutyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 3-amino-1-(2,2-dimethylbutanoyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 3-amino-1-(2,2-dimethylbutanoyl)-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)N1CC(C(=O)N(C2=C1C=CC(=C2)C)CC(=O)C3=CC=CC=C3C)N

Isomeric SMILES

CCC(C)(C)C(=O)N1CC(C(=O)N(C2=C1C=CC(=C2)C)CC(=O)C3=CC=CC=C3C)N

InChI

InChI=1S/C25H31N3O3/c1-6-25(4,5)24(31)28-14-19(26)23(30)27(21-13-16(2)11-12-20(21)28)15-22(29)18-10-8-7-9-17(18)3/h7-13,19H,6,14-15,26H2,1-5H3