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

Systemtic Name: 4-[3-[1-(4-methoxyphenoxy)propan-2-ylamino]-2-oxidanyl-propoxy]-2H-isoquinolin-1-one hydrochloride Openeye Name: 4-[2-hydroxy-3-[[2-(4-methoxyphenoxy)-1-methyl-ethyl]amino]propoxy]-2H-isoquinolin-1-one hydrochloride CAS Name: 4-[2-hydroxy-3-[1-(4-methoxyphenoxy)propan-2-ylamino]propoxy]-2H-isoquinolin-1-one hydrochloride IUPAC Name: 4-[2-hydroxy-3-[1-(4-methoxyphenoxy)propan-2-ylamino]propoxy]-2H-isoquinolin-1-one hydrochloride Traditional Name: 4-[2-hydroxy-3-[[2-(4-methoxyphenoxy)-1-methyl-ethyl]amino]propoxy]isocarbostyril hydrochloride Formula: C22H27ClN2O5 MolecularWeight: 434.91318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5.ClH/c1-15(13-28-18-9-7-17(27-2)8-10-18)23-11-16(25)14-29-21-12-24-22(26)20-6-4-3-5-19(20)21;/h3-10,12,15-16,23,25H,11,13-14H2,1-2H3,(H,24,26);1H