ethyl 2-phenyl-3H-1,3-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 2-phenyl-3H-1,3-benzodiazepine-4-carboxylate Openeye Name: ethyl 2-phenyl-3H-1,3-benzodiazepine-4-carboxylate CAS Name: 2-phenyl-3H-1,3-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-phenyl-3H-1,3-benzodiazepine-4-carboxylate Traditional Name: 2-phenyl-3H-1,3-benzodiazepine-4-carboxylic acid ethyl ester Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2/c1-2-22-18(21)16-12-14-10-6-7-11-15(14)19-17(20-16)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,19,20)