[4-(4-fluorophenyl)carbonylphenyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [4-(4-fluorobenzoyl)phenyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C25H20FN3O3 MolecularWeight: 429.443003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C25H20FN3O3/c26-21-6-2-18(3-7-21)24(30)19-4-8-22(9-5-19)32-25(31)20-11-13-29(14-12-20)23-10-1-17(15-27)16-28-23/h1-10,16,20H,11-14H2