methyl 5-(2-chloranylethanoyl)-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylate

Systemtic Name: methyl 5-(2-chloranylethanoyl)-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylate Openeye Name: methyl 5-(2-chloroacetyl)-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylate CAS Name: 5-(2-chloro-1-oxoethyl)-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-chloroacetyl)-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylate Traditional Name: 5-(2-chloroacetyl)-1-ethyl-4-phenyl-3,4-dihydro-2H-1,5-benzodiazepine-2-carboxylic acid methyl ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O3/c1-3-23-16-11-7-8-12-17(16)24(20(25)14-22)18(13-19(23)21(26)27-2)15-9-5-4-6-10-15/h4-12,18-19H,3,13-14H2,1-2H3