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

Systemtic Name: 4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-2-ethyl-1H-isoquinolin-1-ol Openeye Name: 2-ethyl-4-[2-hydroxy-3-(sec-butylamino)propoxy]-1H-isoquinolin-1-ol CAS Name: 4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-2-ethyl-1H-isoquinolin-1-ol IUPAC Name: 4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-2-ethyl-1H-isoquinolin-1-ol Traditional Name: 2-ethyl-4-[2-hydroxy-3-(sec-butylamino)propoxy]-1H-isoquinolin-1-ol Formula: C18H28N2O3 MolecularWeight: 320.42652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-4-13(3)19-10-14(21)12-23-17-11-20(5-2)18(22)16-9-7-6-8-15(16)17/h6-9,11,13-14,18-19,21-22H,4-5,10,12H2,1-3H3