quinolin-8-ylmethyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: quinolin-8-ylmethyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: 8-quinolylmethyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid 8-quinolylmethyl ester Formula: C22H20N4O2 MolecularWeight: 372.4198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC3=C2N=CC=C3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC3=C2N=CC=C3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H20N4O2/c23-13-16-6-7-20(25-14-16)26-11-8-18(9-12-26)22(27)28-15-19-4-1-3-17-5-2-10-24-21(17)19/h1-7,10,14,18H,8-9,11-12,15H2