2-[4-chloranyl-3-(trifluoromethyl)phenyl]-N-(2-cyclobutyl-1-oxidanylidene-isoquinolin-5-yl)ethanamide

Systemtic Name: 2-[4-chloranyl-3-(trifluoromethyl)phenyl]-N-(2-cyclobutyl-1-oxidanylidene-isoquinolin-5-yl)ethanamide Openeye Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyclobutyl-1-oxo-5-isoquinolyl)acetamide CAS Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyclobutyl-1-oxo-5-isoquinolinyl)acetamide IUPAC Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyclobutyl-1-oxoisoquinolin-5-yl)acetamide Traditional Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyclobutyl-1-keto-5-isoquinolyl)acetamide Formula: C22H18ClF3N2O2 MolecularWeight: 434.83873

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CC(C1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C22H18ClF3N2O2/c23-18-8-7-13(11-17(18)22(24,25)26)12-20(29)27-19-6-2-5-16-15(19)9-10-28(21(16)30)14-3-1-4-14/h2,5-11,14H,1,3-4,12H2,(H,27,29)