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

Systemtic Name: 3-azanyl-1-cyclohexylcarbonyl-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 3-amino-1-(cyclohexanecarbonyl)-7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 3-amino-1-[cyclohexyl(oxo)methyl]-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 3-amino-1-(cyclohexanecarbonyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 3-amino-1-(cyclohexanecarbonyl)-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C26H31N3O3 MolecularWeight: 433.54264

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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)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)N)C(=O)C4CCCCC4

InChI

InChI=1S/C26H31N3O3/c1-17-12-13-22-23(14-17)29(16-24(30)20-11-7-6-8-18(20)2)26(32)21(27)15-28(22)25(31)19-9-4-3-5-10-19/h6-8,11-14,19,21H,3-5,9-10,15-16,27H2,1-2H3