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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-nitro-2-(phenylcarbonyl)phenyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-benzoyl-4-nitro-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-benzoyl-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-benzoyl-4-nitrophenyl)acetamide Traditional Name: N-(2-benzoyl-4-nitro-phenyl)-2-(4-piperonylpiperazino)acetamide Formula: C27H26N4O6 MolecularWeight: 502.51854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O6/c32-26(17-30-12-10-29(11-13-30)16-19-6-9-24-25(14-19)37-18-36-24)28-23-8-7-21(31(34)35)15-22(23)27(33)20-4-2-1-3-5-20/h1-9,14-15H,10-13,16-18H2,(H,28,32)