ethyl 5-(4-chlorophenyl)carbonyl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)carbonyl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate Openeye Name: ethyl 5-(4-chlorobenzoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorobenzoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate Traditional Name: 5-(4-chlorobenzoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylic acid ethyl ester Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1CC(N(C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H21ClN2O3/c1-3-26-20(25)17-12-13(2)23(18-7-5-4-6-16(18)22-17)19(24)14-8-10-15(21)11-9-14/h4-11,13,17,22H,3,12H2,1-2H3