N-(1-methylisoquinolin-5-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(1-methylisoquinolin-5-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(1-methyl-5-isoquinolyl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(1-methyl-5-isoquinolinyl)-1-[4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(1-methylisoquinolin-5-yl)-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(1-methyl-5-isoquinolyl)-1-[4-(trifluoromethyl)phenyl]isonipecotamide Formula: C23H22F3N3O MolecularWeight: 413.43549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22F3N3O/c1-15-19-3-2-4-21(20(19)9-12-27-15)28-22(30)16-10-13-29(14-11-16)18-7-5-17(6-8-18)23(24,25)26/h2-9,12,16H,10-11,13-14H2,1H3,(H,28,30)