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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 2-(4-nitrophenyl)-1-(4-piperonylpiperazino)ethanone Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-20(12-15-1-4-17(5-2-15)23(25)26)22-9-7-21(8-10-22)13-16-3-6-18-19(11-16)28-14-27-18/h1-6,11H,7-10,12-14H2