2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[cyclopentyl(piperonyl)amino]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN(CC3=CC4=C(C=C3)OCO4)C5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN(CC3=CC4=C(C=C3)OCO4)C5CCCC5

InChI

InChI=1S/C26H33N3O4/c1-31-23-9-7-22(8-10-23)27-12-14-28(15-13-27)26(30)18-29(21-4-2-3-5-21)17-20-6-11-24-25(16-20)33-19-32-24/h6-11,16,21H,2-5,12-15,17-19H2,1H3