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

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-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-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C23H24FN5O4 MolecularWeight: 453.466163

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN5O4/c24-18-4-1-2-5-19(18)29(11-3-10-25)21(30)15-33-23(32)16-8-12-28(13-9-16)20-7-6-17(14-27-20)22(26)31/h1-2,4-7,14,16H,3,8-9,11-13,15H2,(H2,26,31)