(2-phenyl-1,3-thiazol-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H20N4O2S/c23-12-16-6-7-20(24-13-16)26-10-8-18(9-11-26)22(27)28-14-19-15-29-21(25-19)17-4-2-1-3-5-17/h1-7,13,15,18H,8-11,14H2