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

Systemtic Name: (E)-N-isoquinolin-5-yl-3-[4-(trifluoromethyl)phenyl]but-2-enamide Openeye Name: (E)-N-(5-isoquinolyl)-3-[4-(trifluoromethyl)phenyl]but-2-enamide CAS Name: (E)-N-(5-isoquinolinyl)-3-[4-(trifluoromethyl)phenyl]-2-butenamide IUPAC Name: (E)-N-isoquinolin-5-yl-3-[4-(trifluoromethyl)phenyl]but-2-enamide Traditional Name: (E)-N-(5-isoquinolyl)-3-[4-(trifluoromethyl)phenyl]but-2-enamide Formula: C20H15F3N2O MolecularWeight: 356.34111

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F3N2O/c1-13(14-5-7-16(8-6-14)20(21,22)23)11-19(26)25-18-4-2-3-15-12-24-10-9-17(15)18/h2-12H,1H3,(H,25,26)/b13-11+