N-[4-fluoranyl-2-(trifluoromethyl)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[4-fluoranyl-2-(trifluoromethyl)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-[4-fluoro-2-(trifluoromethyl)phenyl]-1-(2-pyrimidyl)isonipecotamide Formula: C17H16F4N4O MolecularWeight: 368.328753

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)F)C(F)(F)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)F)C(F)(F)F)C3=NC=CC=N3

InChI

InChI=1S/C17H16F4N4O/c18-12-2-3-14(13(10-12)17(19,20)21)24-15(26)11-4-8-25(9-5-11)16-22-6-1-7-23-16/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,26)