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

Systemtic Name: 4-[3-[1-(2,4-dimethoxyphenyl)propan-2-ylamino]-2-oxidanyl-propoxy]-2H-isoquinolin-1-one Openeye Name: 4-[3-[[2-(2,4-dimethoxyphenyl)-1-methyl-ethyl]amino]-2-hydroxy-propoxy]-2H-isoquinolin-1-one CAS Name: 4-[3-[1-(2,4-dimethoxyphenyl)propan-2-ylamino]-2-hydroxypropoxy]-2H-isoquinolin-1-one IUPAC Name: 4-[3-[1-(2,4-dimethoxyphenyl)propan-2-ylamino]-2-hydroxypropoxy]-2H-isoquinolin-1-one Traditional Name: 4-[3-[[2-(2,4-dimethoxyphenyl)-1-methyl-ethyl]amino]-2-hydroxy-propoxy]isocarbostyril Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=C(C=C1)OC)OC)NCC(COC2=CNC(=O)C3=CC=CC=C32)O

Isomeric SMILES

CC(CC1=C(C=C(C=C1)OC)OC)NCC(COC2=CNC(=O)C3=CC=CC=C32)O

InChI

InChI=1S/C23H28N2O5/c1-15(10-16-8-9-18(28-2)11-21(16)29-3)24-12-17(26)14-30-22-13-25-23(27)20-7-5-4-6-19(20)22/h4-9,11,13,15,17,24,26H,10,12,14H2,1-3H3,(H,25,27)