1-[4-chloranyl-2-(trifluoromethyl)phenyl]-N-(1-methylisoquinolin-5-yl)piperidine-4-carboxamide

Systemtic Name: 1-[4-chloranyl-2-(trifluoromethyl)phenyl]-N-(1-methylisoquinolin-5-yl)piperidine-4-carboxamide Openeye Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(1-methyl-5-isoquinolyl)piperidine-4-carboxamide CAS Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(1-methyl-5-isoquinolinyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(1-methylisoquinolin-5-yl)piperidine-4-carboxamide Traditional Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(1-methyl-5-isoquinolyl)isonipecotamide Formula: C23H21ClF3N3O MolecularWeight: 447.88055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClF3N3O/c1-14-17-3-2-4-20(18(17)7-10-28-14)29-22(31)15-8-11-30(12-9-15)21-6-5-16(24)13-19(21)23(25,26)27/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,29,31)