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

Systemtic Name: ethyl 2-(4-chlorophenyl)-3H-1,3-benzodiazepine-4-carboxylate Openeye Name: ethyl 2-(4-chlorophenyl)-3H-1,3-benzodiazepine-4-carboxylate CAS Name: 2-(4-chlorophenyl)-3H-1,3-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-3H-1,3-benzodiazepine-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-3H-1,3-benzodiazepine-4-carboxylic acid ethyl ester Formula: C18H15ClN2O2 MolecularWeight: 326.7769

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC=CC=C2N=C(N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=CC=CC=C2N=C(N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-11-13-5-3-4-6-15(13)20-17(21-16)12-7-9-14(19)10-8-12/h3-11H,2H2,1H3,(H,20,21)