[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H18ClFN4O3 MolecularWeight: 416.833323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)F)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)F)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H18ClFN4O3/c21-15-2-3-16(22)17(9-15)25-19(27)12-29-20(28)14-5-7-26(8-6-14)18-4-1-13(10-23)11-24-18/h1-4,9,11,14H,5-8,12H2,(H,25,27)