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

Systemtic Name: 4-[2-oxidanyl-3-(1-phenoxypropan-2-ylamino)propoxy]-2H-isoquinolin-1-one hydrochloride Openeye Name: 4-[2-hydroxy-3-[(1-methyl-2-phenoxy-ethyl)amino]propoxy]-2H-isoquinolin-1-one hydrochloride CAS Name: 4-[2-hydroxy-3-(1-phenoxypropan-2-ylamino)propoxy]-2H-isoquinolin-1-one hydrochloride IUPAC Name: 4-[2-hydroxy-3-(1-phenoxypropan-2-ylamino)propoxy]-2H-isoquinolin-1-one hydrochloride Traditional Name: 4-[2-hydroxy-3-[(1-methyl-2-phenoxy-ethyl)amino]propoxy]isocarbostyril hydrochloride Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4.ClH/c1-15(13-26-17-7-3-2-4-8-17)22-11-16(24)14-27-20-12-23-21(25)19-10-6-5-9-18(19)20;/h2-10,12,15-16,22,24H,11,13-14H2,1H3,(H,23,25);1H