[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H21FN4O3 MolecularWeight: 396.414843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=CC=C2F)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=CC=C2F)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C21H21FN4O3/c22-18-4-2-1-3-17(18)13-25-20(27)14-29-21(28)16-7-9-26(10-8-16)19-6-5-15(11-23)12-24-19/h1-6,12,16H,7-10,13-14H2,(H,25,27)