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

Systemtic Name: 4-[2-oxidanyl-3-(1-phenoxypropan-2-ylamino)propoxy]-2H-isoquinolin-1-one Openeye Name: 4-[2-hydroxy-3-[(1-methyl-2-phenoxy-ethyl)amino]propoxy]-2H-isoquinolin-1-one CAS Name: 4-[2-hydroxy-3-(1-phenoxypropan-2-ylamino)propoxy]-2H-isoquinolin-1-one IUPAC Name: 4-[2-hydroxy-3-(1-phenoxypropan-2-ylamino)propoxy]-2H-isoquinolin-1-one Traditional Name: 4-[2-hydroxy-3-[(1-methyl-2-phenoxy-ethyl)amino]propoxy]isocarbostyril Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/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)