4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-(trifluoromethyl)isoquinolin-1-one

Systemtic Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-(trifluoromethyl)isoquinolin-1-one Openeye Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-(trifluoromethyl)isoquinolin-1-one CAS Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-(trifluoromethyl)-1-isoquinolinone IUPAC Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-(trifluoromethyl)isoquinolin-1-one Traditional Name: 4-butoxy-3-(chloromethyl)-2-neopentyl-7-(trifluoromethyl)isocarbostyril Formula: C20H25ClF3NO2 MolecularWeight: 403.86621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)C(F)(F)F)CC(C)(C)C)CCl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)C(F)(F)F)CC(C)(C)C)CCl

InChI

InChI=1S/C20H25ClF3NO2/c1-5-6-9-27-17-14-8-7-13(20(22,23)24)10-15(14)18(26)25(16(17)11-21)12-19(2,3)4/h7-8,10H,5-6,9,11-12H2,1-4H3