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

Systemtic Name: N-(2-cyclopropyl-1-oxidanylidene-isoquinolin-5-yl)-2-[2-fluoranyl-3-(trifluoromethyl)phenyl]ethanamide Openeye Name: N-(2-cyclopropyl-1-oxo-5-isoquinolyl)-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide CAS Name: N-(2-cyclopropyl-1-oxo-5-isoquinolinyl)-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide IUPAC Name: N-(2-cyclopropyl-1-oxoisoquinolin-5-yl)-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide Traditional Name: N-(2-cyclopropyl-1-keto-5-isoquinolyl)-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide Formula: C21H16F4N2O2 MolecularWeight: 404.357553

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=C(C(=CC=C4)C(F)(F)F)F

Isomeric SMILES

C1CC1N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=C(C(=CC=C4)C(F)(F)F)F

InChI

InChI=1S/C21H16F4N2O2/c22-19-12(3-1-5-16(19)21(23,24)25)11-18(28)26-17-6-2-4-15-14(17)9-10-27(20(15)29)13-7-8-13/h1-6,9-10,13H,7-8,11H2,(H,26,28)