4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)isoquinolin-1-one

Systemtic Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)isoquinolin-1-one Openeye Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)isoquinolin-1-one CAS Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-1-isoquinolinone IUPAC Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)isoquinolin-1-one Traditional Name: 4-butoxy-3-methylol-2-neopentyl-isocarbostyril Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC=CC=C21)CC(C)(C)C)CO

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC=CC=C21)CC(C)(C)C)CO

InChI

InChI=1S/C19H27NO3/c1-5-6-11-23-17-14-9-7-8-10-15(14)18(22)20(16(17)12-21)13-19(2,3)4/h7-10,21H,5-6,11-13H2,1-4H3