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

Systemtic Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-fluoranyl-isoquinolin-1-one Openeye Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-fluoro-isoquinolin-1-one CAS Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-fluoro-1-isoquinolinone IUPAC Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-fluoroisoquinolin-1-one Traditional Name: 4-butoxy-3-(chloromethyl)-7-fluoro-2-neopentyl-isocarbostyril Formula: C19H25ClFNO2 MolecularWeight: 353.858703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClFNO2/c1-5-6-9-24-17-14-8-7-13(21)10-15(14)18(23)22(16(17)11-20)12-19(2,3)4/h7-8,10H,5-6,9,11-12H2,1-4H3