2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-(4-piperonylpiperazino)acetamide Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6/c1-15-9-18(26(28)29)20(30-2)11-17(15)23-22(27)13-25-7-5-24(6-8-25)12-16-3-4-19-21(10-16)32-14-31-19/h3-4,9-11H,5-8,12-14H2,1-2H3,(H,23,27)