1,3-benzodioxol-5-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(2,3,4-trimethoxybenzyl)piperazino]methanone Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)OC)OC

InChI

InChI=1S/C22H26N2O6/c1-26-18-7-5-16(20(27-2)21(18)28-3)13-23-8-10-24(11-9-23)22(25)15-4-6-17-19(12-15)30-14-29-17/h4-7,12H,8-11,13-14H2,1-3H3