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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-isoquinolin-5-yl-piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(5-isoquinolyl)piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(5-isoquinolinyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-isoquinolin-5-ylpiperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(5-isoquinolyl)isonipecotamide Formula: C21H18ClF3N4O MolecularWeight: 434.84203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC3=C2C=CN=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC3=C2C=CN=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H18ClF3N4O/c22-17-10-15(21(23,24)25)12-27-19(17)29-8-5-13(6-9-29)20(30)28-18-3-1-2-14-11-26-7-4-16(14)18/h1-4,7,10-13H,5-6,8-9H2,(H,28,30)