(E)-3-[3-fluoranyl-4-(trifluoromethyl)phenyl]-N-isoquinolin-5-yl-but-2-enamide

Systemtic Name: (E)-3-[3-fluoranyl-4-(trifluoromethyl)phenyl]-N-isoquinolin-5-yl-but-2-enamide Openeye Name: (E)-3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(5-isoquinolyl)but-2-enamide CAS Name: (E)-3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(5-isoquinolinyl)-2-butenamide IUPAC Name: (E)-3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-isoquinolin-5-ylbut-2-enamide Traditional Name: (E)-3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(5-isoquinolyl)but-2-enamide Formula: C20H14F4N2O MolecularWeight: 374.331573

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC2=C1C=CN=C2)C3=CC(=C(C=C3)C(F)(F)F)F

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=CC2=C1C=CN=C2)/C3=CC(=C(C=C3)C(F)(F)F)F

InChI

InChI=1S/C20H14F4N2O/c1-12(13-5-6-16(17(21)10-13)20(22,23)24)9-19(27)26-18-4-2-3-14-11-25-8-7-15(14)18/h2-11H,1H3,(H,26,27)/b12-9+