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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=C(CC(=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/h2-8,10-11H,1,9H2,(H,26,27)