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

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-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-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C23H22FN5O3 MolecularWeight: 435.450883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C23H22FN5O3/c24-19-4-1-2-5-20(19)29(11-3-10-25)22(30)16-32-23(31)18-8-12-28(13-9-18)21-7-6-17(14-26)15-27-21/h1-2,4-7,15,18H,3,8-9,11-13,16H2