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

Systemtic Name: ethyl 4-[(3,4-dimethoxyphenyl)carbonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(3,4-dimethoxybenzoyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,4-dimethoxybenzoyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-(veratroylamino)-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5/c1-5-15-20(23(28)31-6-2)21(25-17-10-8-7-9-16(17)24-15)26-22(27)14-11-12-18(29-3)19(13-14)30-4/h7-13,24H,5-6H2,1-4H3,(H,25,26,27)