N-(6-chloranyl-2-cyclopropyl-1-oxidanylidene-isoquinolin-5-yl)-2-[2-fluoranyl-3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: N-(6-chloranyl-2-cyclopropyl-1-oxidanylidene-isoquinolin-5-yl)-2-[2-fluoranyl-3-(trifluoromethyl)phenyl]ethanamide Openeye Name: N-(6-chloro-2-cyclopropyl-1-oxo-5-isoquinolyl)-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide CAS Name: N-(6-chloro-2-cyclopropyl-1-oxo-5-isoquinolinyl)-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide IUPAC Name: N-(6-chloro-2-cyclopropyl-1-oxoisoquinolin-5-yl)-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide Traditional Name: N-(6-chloro-2-cyclopropyl-1-keto-5-isoquinolyl)-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide Formula: C21H15ClF4N2O2 MolecularWeight: 438.802613

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClF4N2O2/c22-16-7-6-14-13(8-9-28(20(14)30)12-4-5-12)19(16)27-17(29)10-11-2-1-3-15(18(11)23)21(24,25)26/h1-3,6-9,12H,4-5,10H2,(H,27,29)