3-azanyl-5,9-dimethyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-5,9-dimethyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-5,9-dimethyl-1-[2-(o-tolyl)-2-oxo-ethyl]-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-5,9-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-5,9-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-[2-keto-2-(o-tolyl)ethyl]-5,9-dimethyl-3H-1,4-benzodiazepin-2-one Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C(=O)C(N=C(C3=C2C(=CC=C3)C)C)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C(=O)C(N=C(C3=C2C(=CC=C3)C)C)N

InChI

InChI=1S/C20H21N3O2/c1-12-7-4-5-9-15(12)17(24)11-23-18-13(2)8-6-10-16(18)14(3)22-19(21)20(23)25/h4-10,19H,11,21H2,1-3H3