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

Systemtic Name: ethyl 4-(2,2-diphenylethanoylamino)-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(2,2-diphenylacetyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-methyl-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-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(2,2-diphenylacetyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H25N3O3/c1-3-33-27(32)23-18(2)28-21-16-10-11-17-22(21)29-25(23)30-26(31)24(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,24,28H,3H2,1-2H3,(H,29,30,31)