3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: 6,7-dimethoxy-3-(4-piperonylpiperazino)phthalide Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C22H24N2O6/c1-26-17-6-4-15-19(20(17)27-2)22(25)30-21(15)24-9-7-23(8-10-24)12-14-3-5-16-18(11-14)29-13-28-16/h3-6,11,21H,7-10,12-13H2,1-2H3