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

Systemtic Name: 4-[2-oxidanyl-3-[1-(4-oxidanylphenoxy)propan-2-ylamino]propoxy]-2H-isoquinolin-1-one Openeye Name: 4-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)-1-methyl-ethyl]amino]propoxy]-2H-isoquinolin-1-one CAS Name: 4-[2-hydroxy-3-[1-(4-hydroxyphenoxy)propan-2-ylamino]propoxy]-2H-isoquinolin-1-one IUPAC Name: 4-[2-hydroxy-3-[1-(4-hydroxyphenoxy)propan-2-ylamino]propoxy]-2H-isoquinolin-1-one Traditional Name: 4-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)-1-methyl-ethyl]amino]propoxy]isocarbostyril Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-14(12-27-17-8-6-15(24)7-9-17)22-10-16(25)13-28-20-11-23-21(26)19-5-3-2-4-18(19)20/h2-9,11,14,16,22,24-25H,10,12-13H2,1H3,(H,23,26)