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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCC3=CC4=C(C=C3)OCO4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCC3=CC4=C(C=C3)OCO4)C5=CC=CS5)OC

InChI

InChI=1S/C25H25NO5S/c1-28-20-13-17-9-10-26(25(23-4-3-11-32-23)18(17)14-21(20)29-2)24(27)8-6-16-5-7-19-22(12-16)31-15-30-19/h3-5,7,11-14,25H,6,8-10,15H2,1-2H3