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

Systemtic Name: ethyl 2-[(2,4-dimethylphenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-[(2,4-dimethylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-[[(2,4-dimethylphenyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,4-dimethylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-[(2,4-dimethylbenzoyl)amino]-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=C1)NC(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1)NC(=O)C3=C(C=C(C=C3)C)C

InChI

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