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

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCC2=CC=C(C=C2)F)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCC2=CC=C(C=C2)F)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C22H23FN4O3/c23-19-4-1-16(2-5-19)7-10-25-21(28)15-30-22(29)18-8-11-27(12-9-18)20-6-3-17(13-24)14-26-20/h1-6,14,18H,7-12,15H2,(H,25,28)