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

Systemtic Name: ethyl 4-[(3,5-dimethylphenyl)carbonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(3,5-dimethylbenzoyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[(3,5-dimethylphenyl)-oxomethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-dimethylbenzoyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(3,5-dimethylbenzoyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC(=C3)C)C)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC(=C3)C)C)C(=O)OCC

InChI

InChI=1S/C23H25N3O3/c1-5-17-20(23(28)29-6-2)21(25-19-10-8-7-9-18(19)24-17)26-22(27)16-12-14(3)11-15(4)13-16/h7-13,24H,5-6H2,1-4H3,(H,25,26,27)