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

Systemtic Name: N-isoquinolin-5-yl-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Openeye Name: N-(5-isoquinolyl)-1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide CAS Name: N-(5-isoquinolinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-isoquinolin-5-yl-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Traditional Name: N-(5-isoquinolyl)-1-[5-(trifluoromethyl)-2-pyridyl]isonipecotamide Formula: C21H19F3N4O MolecularWeight: 400.39697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC3=C2C=CN=C3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC3=C2C=CN=C3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O/c22-21(23,24)16-4-5-19(26-13-16)28-10-7-14(8-11-28)20(29)27-18-3-1-2-15-12-25-9-6-17(15)18/h1-6,9,12-14H,7-8,10-11H2,(H,27,29)