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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: N-(3-nitrophenyl)-2-(4-piperonylpiperazino)acetamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c25-20(21-16-2-1-3-17(11-16)24(26)27)13-23-8-6-22(7-9-23)12-15-4-5-18-19(10-15)29-14-28-18/h1-5,10-11H,6-9,12-14H2,(H,21,25)