ethyl 4-(2,2-diphenylethanoylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-(2,2-diphenylethanoylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(2,2-diphenylacetyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[(1-oxo-2,2-diphenylethyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,2-diphenylacetyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(2,2-diphenylacetyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H27N3O3/c1-3-21-25(28(33)34-4-2)26(30-23-18-12-11-17-22(23)29-21)31-27(32)24(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18,24,29H,3-4H2,1-2H3,(H,30,31,32)