4-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-[(2,5-dimethoxyphenyl)methyl]piperazine-2-carboxamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-[(2,5-dimethoxyphenyl)methyl]piperazine-2-carboxamide Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(2,5-dimethoxyphenyl)methyl]piperazine-2-carboxamide CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-piperazinecarboxamide IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(2,5-dimethoxyphenyl)methyl]piperazine-2-carboxamide Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2,5-dimethoxybenzyl)piperazine-2-carboxamide Formula: C23H27N3O6 MolecularWeight: 441.47698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC(=O)C2CN(CCN2)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC(=O)C2CN(CCN2)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O6/c1-29-17-4-6-19(30-2)16(11-17)12-25-23(28)18-13-26(8-7-24-18)22(27)10-15-3-5-20-21(9-15)32-14-31-20/h3-6,9,11,18,24H,7-8,10,12-14H2,1-2H3,(H,25,28)