6,7-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2H-isoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2H-isoquinolin-1-one Openeye Name: 6,7-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2H-isoquinolin-1-one CAS Name: 6,7-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2H-isoquinolin-1-one IUPAC Name: 6,7-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2H-isoquinolin-1-one Traditional Name: 6,7-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]isocarbostyril Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COCOCC1=CC2=C(C=C1C3=CC4=CC(=C(C=C4C(=O)N3)OC)OC)OCO2

Isomeric SMILES

COCOCC1=CC2=C(C=C1C3=CC4=CC(=C(C=C4C(=O)N3)OC)OC)OCO2

InChI

InChI=1S/C21H21NO7/c1-24-10-27-9-13-6-19-20(29-11-28-19)7-14(13)16-4-12-5-17(25-2)18(26-3)8-15(12)21(23)22-16/h4-8H,9-11H2,1-3H3,(H,22,23)