2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,4-dimethoxyphenyl)-2-oxo-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3,4-dimethoxyphenyl)-2-oxoacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,4-dimethoxyphenyl)-2-oxoacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-keto-2-(4-piperonylpiperazino)acetamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H25N3O6/c1-28-17-6-4-16(12-19(17)29-2)23-21(26)22(27)25-9-7-24(8-10-25)13-15-3-5-18-20(11-15)31-14-30-18/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,23,26)