1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(5-tert-butyl-1-benzofuran-3-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(5-tert-butyl-1-benzofuran-3-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(5-tert-butylbenzofuran-3-yl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(5-tert-butyl-3-benzofuranyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(5-tert-butyl-1-benzofuran-3-yl)ethanone Traditional Name: 2-(5-tert-butylbenzofuran-3-yl)-1-(4-piperonylpiperazino)ethanone Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC=C2CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC=C2CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30N2O4/c1-26(2,3)20-5-7-22-21(14-20)19(16-30-22)13-25(29)28-10-8-27(9-11-28)15-18-4-6-23-24(12-18)32-17-31-23/h4-7,12,14,16H,8-11,13,15,17H2,1-3H3