N-pentyl-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridine-2-carboxamide

Systemtic Name: N-pentyl-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridine-2-carboxamide Openeye Name: N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide CAS Name: 5-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-N-pentyl-2-pyridinecarboxamide IUPAC Name: N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide Traditional Name: N-amyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazino]picolinamide Formula: C23H27F3N4O2 MolecularWeight: 448.48129

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=NC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCCNC(=O)C1=NC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C23H27F3N4O2/c1-2-3-6-11-27-21(31)20-10-9-17(16-28-20)29-12-14-30(15-13-29)22(32)18-7-4-5-8-19(18)23(24,25)26/h4-5,7-10,16H,2-3,6,11-15H2,1H3,(H,27,31)