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

Systemtic Name: ethyl 2-ethyl-4-[(3-methoxyphenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(3-methoxybenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(3-methoxybenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-(m-anisoylamino)-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-4-16-19(22(27)29-5-2)20(24-18-12-7-6-11-17(18)23-16)25-21(26)14-9-8-10-15(13-14)28-3/h6-13,23H,4-5H2,1-3H3,(H,24,25,26)