1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(4-ethoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione Traditional Name: 1-(4-piperonylpiperazino)-4-p-phenetyl-butane-1,4-dione Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N2O5/c1-2-29-20-6-4-19(5-7-20)21(27)8-10-24(28)26-13-11-25(12-14-26)16-18-3-9-22-23(15-18)31-17-30-22/h3-7,9,15H,2,8,10-14,16-17H2,1H3