ethyl 1-ethyl-9-oxidanylidene-3-phenyl-5,6,7,8-tetrahydropyrido[3,4-c]azepine-4-carboxylate

Systemtic Name: ethyl 1-ethyl-9-oxidanylidene-3-phenyl-5,6,7,8-tetrahydropyrido[3,4-c]azepine-4-carboxylate Openeye Name: ethyl 1-ethyl-9-oxo-3-phenyl-5,6,7,8-tetrahydropyrido[3,4-c]azepine-4-carboxylate CAS Name: 1-ethyl-9-oxo-3-phenyl-5,6,7,8-tetrahydropyrido[3,4-c]azepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-9-oxo-3-phenyl-5,6,7,8-tetrahydropyrido[3,4-c]azepine-4-carboxylate Traditional Name: 1-ethyl-9-keto-3-phenyl-5,6,7,8-tetrahydropyrid[3,4-c]azepine-4-carboxylic acid ethyl ester Formula: C20H22N2O3 MolecularWeight: 338.40028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C2=C1C(=O)NCCC2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=C(C2=C1C(=O)NCCC2)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c1-3-15-16-14(11-8-12-21-19(16)23)17(20(24)25-4-2)18(22-15)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,21,23)