methyl 5-ethanoyl-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylate

Systemtic Name: methyl 5-ethanoyl-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylate Openeye Name: methyl 5-acetyl-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylate CAS Name: 5-acetyl-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylate Traditional Name: 5-acetyl-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylic acid methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(CC(N(C2=CC=CC=C21)C(=O)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCN1C(CC(N(C2=CC=CC=C21)C(=O)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O3/c1-4-22-17-12-8-9-13-18(17)23(15(2)24)19(14-20(22)21(25)26-3)16-10-6-5-7-11-16/h5-13,19-20H,4,14H2,1-3H3