4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-2-methyl-1H-isoquinolin-1-ol

Systemtic Name: 4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-2-methyl-1H-isoquinolin-1-ol Openeye Name: 4-[2-hydroxy-3-(sec-butylamino)propoxy]-2-methyl-1H-isoquinolin-1-ol CAS Name: 4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-2-methyl-1H-isoquinolin-1-ol IUPAC Name: 4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-2-methyl-1H-isoquinolin-1-ol Traditional Name: 4-[2-hydroxy-3-(sec-butylamino)propoxy]-2-methyl-1H-isoquinolin-1-ol Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC(COC1=CN(C(C2=CC=CC=C21)O)C)O

Isomeric SMILES

CCC(C)NCC(COC1=CN(C(C2=CC=CC=C21)O)C)O

InChI

InChI=1S/C17H26N2O3/c1-4-12(2)18-9-13(20)11-22-16-10-19(3)17(21)15-8-6-5-7-14(15)16/h5-8,10,12-13,17-18,20-21H,4,9,11H2,1-3H3