6,7-dimethoxy-3-[6-[(E)-2-methoxyethenyl]-1,3-benzodioxol-5-yl]-2-methyl-isoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-3-[6-[(E)-2-methoxyethenyl]-1,3-benzodioxol-5-yl]-2-methyl-isoquinolin-1-one Openeye Name: 6,7-dimethoxy-3-[6-[(E)-2-methoxyvinyl]-1,3-benzodioxol-5-yl]-2-methyl-isoquinolin-1-one CAS Name: 6,7-dimethoxy-3-[6-[(E)-2-methoxyethenyl]-1,3-benzodioxol-5-yl]-2-methyl-1-isoquinolinone IUPAC Name: 6,7-dimethoxy-3-[6-[(E)-2-methoxyethenyl]-1,3-benzodioxol-5-yl]-2-methylisoquinolin-1-one Traditional Name: 6,7-dimethoxy-3-[6-[(E)-2-methoxyvinyl]-1,3-benzodioxol-5-yl]-2-methyl-isocarbostyril Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC(=C(C=C2C1=O)OC)OC)C3=CC4=C(C=C3C=COC)OCO4

Isomeric SMILES

CN1C(=CC2=CC(=C(C=C2C1=O)OC)OC)C3=CC4=C(C=C3/C=C/OC)OCO4

InChI

InChI=1S/C22H21NO6/c1-23-17(7-14-9-18(26-3)19(27-4)11-16(14)22(23)24)15-10-21-20(28-12-29-21)8-13(15)5-6-25-2/h5-11H,12H2,1-4H3/b6-5+