1-(4-fluorophenyl)carbonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(4-fluorobenzoyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-[4-(3-pyridinylmethylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorobenzoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzoyl)-N-[4-(3-pyridylmethylthio)phenyl]isonipecotamide Formula: C25H24FN3O2S MolecularWeight: 449.540363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN3O2S/c26-21-5-3-20(4-6-21)25(31)29-14-11-19(12-15-29)24(30)28-22-7-9-23(10-8-22)32-17-18-2-1-13-27-16-18/h1-10,13,16,19H,11-12,14-15,17H2,(H,28,30)