1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4,6,7-trimethylbenzofuran-3-yl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4,6,7-trimethyl-3-benzofuranyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)ethanone Traditional Name: 1-(4-piperonylpiperazino)-2-(4,6,7-trimethylbenzofuran-3-yl)ethanone Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=CO2)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C)C

Isomeric SMILES

CC1=CC(=C(C2=C1C(=CO2)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C)C

InChI

InChI=1S/C25H28N2O4/c1-16-10-17(2)24-20(14-29-25(24)18(16)3)12-23(28)27-8-6-26(7-9-27)13-19-4-5-21-22(11-19)31-15-30-21/h4-5,10-11,14H,6-9,12-13,15H2,1-3H3