4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-methyl-isoquinolin-1-one hydrochloride

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-methyl-isoquinolin-1-one hydrochloride Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-isoquinolin-1-one hydrochloride CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-1-isoquinolinone hydrochloride IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methylisoquinolin-1-one hydrochloride Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-isocarbostyril hydrochloride Formula: C17H25ClN2O3 MolecularWeight: 340.845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl

InChI

InChI=1S/C17H24N2O3.ClH/c1-17(2,3)18-9-12(20)11-22-15-10-19(4)16(21)14-8-6-5-7-13(14)15;/h5-8,10,12,18,20H,9,11H2,1-4H3;1H