N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-1-[5-(trifluoromethyl)pyridine-2-carbonyl]piperidine-4-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-[oxo-[5-(trifluoromethyl)-2-pyridinyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-[5-(trifluoromethyl)pyridine-2-carbonyl]piperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-1-[5-(trifluoromethyl)picolinoyl]isonipecotamide Formula: C21H21F4N3O2 MolecularWeight: 423.403953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=NC=C(C=C3)C(F)(F)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=NC=C(C=C3)C(F)(F)F)F

InChI

InChI=1S/C21H21F4N3O2/c1-13-2-3-14(10-17(13)22)11-27-19(29)15-6-8-28(9-7-15)20(30)18-5-4-16(12-26-18)21(23,24)25/h2-5,10,12,15H,6-9,11H2,1H3,(H,27,29)