4-[3-[1-(2,4-dimethoxyphenoxy)propan-2-ylamino]-2-oxidanyl-propoxy]-2H-isoquinolin-1-one

Systemtic Name: 4-[3-[1-(2,4-dimethoxyphenoxy)propan-2-ylamino]-2-oxidanyl-propoxy]-2H-isoquinolin-1-one Openeye Name: 4-[3-[[2-(2,4-dimethoxyphenoxy)-1-methyl-ethyl]amino]-2-hydroxy-propoxy]-2H-isoquinolin-1-one CAS Name: 4-[3-[1-(2,4-dimethoxyphenoxy)propan-2-ylamino]-2-hydroxypropoxy]-2H-isoquinolin-1-one IUPAC Name: 4-[3-[1-(2,4-dimethoxyphenoxy)propan-2-ylamino]-2-hydroxypropoxy]-2H-isoquinolin-1-one Traditional Name: 4-[3-[[2-(2,4-dimethoxyphenoxy)-1-methyl-ethyl]amino]-2-hydroxy-propoxy]isocarbostyril Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=C(C=C1)OC)OC)NCC(COC2=CNC(=O)C3=CC=CC=C32)O

Isomeric SMILES

CC(COC1=C(C=C(C=C1)OC)OC)NCC(COC2=CNC(=O)C3=CC=CC=C32)O

InChI

InChI=1S/C23H28N2O6/c1-15(13-30-20-9-8-17(28-2)10-21(20)29-3)24-11-16(26)14-31-22-12-25-23(27)19-7-5-4-6-18(19)22/h4-10,12,15-16,24,26H,11,13-14H2,1-3H3,(H,25,27)