4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-piperonyl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide Formula: C22H27N3O6 MolecularWeight: 429.46628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O6/c1-27-19-11-16(12-20(28-2)21(19)29-3)23-22(26)25-8-6-24(7-9-25)13-15-4-5-17-18(10-15)31-14-30-17/h4-5,10-12H,6-9,13-14H2,1-3H3,(H,23,26)