ethyl 2-methyl-4-[(2-methylphenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[(2-methylphenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-methyl-4-[(2-methylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-methyl-4-[[(2-methylphenyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[(2-methylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-methyl-4-(o-toluoylamino)-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC=CC=C3C)C

InChI

InChI=1S/C21H21N3O3/c1-4-27-21(26)18-14(3)22-16-11-7-8-12-17(16)23-19(18)24-20(25)15-10-6-5-9-13(15)2/h5-12,22H,4H2,1-3H3,(H,23,24,25)