3-(1,3-benzodioxol-5-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H23NO5/c1-24-18-10-15-7-8-22(12-16(15)11-19(18)25-2)21(23)6-4-14-3-5-17-20(9-14)27-13-26-17/h3,5,9-11H,4,6-8,12-13H2,1-2H3