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

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

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)N)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)N)C(=O)CC(C)(C)C

InChI

InChI=1S/C25H31N3O3/c1-16-10-11-20-21(12-16)28(15-22(29)18-9-7-6-8-17(18)2)24(31)19(26)14-27(20)23(30)13-25(3,4)5/h6-12,19H,13-15,26H2,1-5H3