N-(1-methylisoquinolin-5-yl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(1-methylisoquinolin-5-yl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Openeye Name: N-(1-methyl-5-isoquinolyl)-1-[3-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide CAS Name: N-(1-methyl-5-isoquinolinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-(1-methylisoquinolin-5-yl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Traditional Name: N-(1-methyl-5-isoquinolyl)-1-[3-(trifluoromethyl)-2-pyridyl]isonipecotamide Formula: C22H21F3N4O MolecularWeight: 414.42355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)C3CCN(CC3)C4=C(C=CC=N4)C(F)(F)F

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)C3CCN(CC3)C4=C(C=CC=N4)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O/c1-14-16-4-2-6-19(17(16)7-11-26-14)28-21(30)15-8-12-29(13-9-15)20-18(22(23,24)25)5-3-10-27-20/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,28,30)