N-[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]ethyl]-2-isoquinolin-5-yl-ethanamide

Systemtic Name: N-[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]ethyl]-2-isoquinolin-5-yl-ethanamide Openeye Name: N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(5-isoquinolyl)acetamide CAS Name: N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(5-isoquinolinyl)acetamide IUPAC Name: N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-isoquinolin-5-ylacetamide Traditional Name: N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(5-isoquinolyl)acetamide Formula: C20H16F4N2O MolecularWeight: 376.347453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C(F)(F)F)F)NC(=O)CC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C1=CC(=C(C=C1)C(F)(F)F)F)NC(=O)CC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H16F4N2O/c1-12(13-5-6-17(18(21)9-13)20(22,23)24)26-19(27)10-14-3-2-4-15-11-25-8-7-16(14)15/h2-9,11-12H,10H2,1H3,(H,26,27)