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

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2H-isoquinolin-1-one Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2H-isoquinolin-1-one CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2H-isoquinolin-1-one IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2H-isoquinolin-1-one Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]isocarbostyril Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CNC(=O)C2=CC=CC=C21)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CNC(=O)C2=CC=CC=C21)O

InChI

InChI=1S/C16H22N2O3/c1-16(2,3)18-8-11(19)10-21-14-9-17-15(20)13-7-5-4-6-12(13)14/h4-7,9,11,18-19H,8,10H2,1-3H3,(H,17,20)