(2-oxidanylidene-2-phenylazanyl-ethyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (2-anilino-2-keto-ethyl) ester Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4O3/c21-12-15-6-7-18(22-13-15)24-10-8-16(9-11-24)20(26)27-14-19(25)23-17-4-2-1-3-5-17/h1-7,13,16H,8-11,14H2,(H,23,25)