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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(6,7-dimethylbenzofuran-3-yl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(6,7-dimethyl-3-benzofuranyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-(4-piperonylpiperazino)ethanone Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H26N2O4/c1-16-3-5-20-19(14-28-24(20)17(16)2)12-23(27)26-9-7-25(8-10-26)13-18-4-6-21-22(11-18)30-15-29-21/h3-6,11,14H,7-10,12-13,15H2,1-2H3