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

Systemtic Name: ethyl 4-[(2,3-dimethylphenyl)carbonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(2,3-dimethylbenzoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[(2,3-dimethylphenyl)-oxomethyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,3-dimethylbenzoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(2,3-dimethylbenzoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-5-28-22(27)19-15(4)23-17-11-6-7-12-18(17)24-20(19)25-21(26)16-10-8-9-13(2)14(16)3/h6-12,23H,5H2,1-4H3,(H,24,25,26)