[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H22N4O3/c23-14-16-3-8-20(24-15-16)25-12-9-17(10-13-25)22(28)29-19-6-4-18(5-7-19)26-11-1-2-21(26)27/h3-8,15,17H,1-2,9-13H2