N-(1-methylisoquinolin-6-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(1-methylisoquinolin-6-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: N-(1-methyl-6-isoquinolyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: N-(1-methyl-6-isoquinolinyl)-1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: N-(1-methylisoquinolin-6-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: N-(1-methyl-6-isoquinolyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]isonipecotamide Formula: C21H20F3N5O MolecularWeight: 415.41161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC(=C2)NC(=O)C3CCN(CC3)C4=NC=CC(=N4)C(F)(F)F

Isomeric SMILES

CC1=NC=CC2=C1C=CC(=C2)NC(=O)C3CCN(CC3)C4=NC=CC(=N4)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O/c1-13-17-3-2-16(12-15(17)4-8-25-13)27-19(30)14-6-10-29(11-7-14)20-26-9-5-18(28-20)21(22,23)24/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,27,30)