[4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-nitro-phenyl]-piperazin-1-yl-methanone

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-nitro-phenyl]-piperazin-1-yl-methanone Openeye Name: [4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-nitro-phenyl]-piperazin-1-yl-methanone CAS Name: [4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-nitrophenyl]-(1-piperazinyl)methanone IUPAC Name: [4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-nitrophenyl]-piperazin-1-ylmethanone Traditional Name: [3-nitro-4-(4-piperonyloylpiperazino)phenyl]-piperazino-methanone Formula: C23H25N5O6 MolecularWeight: 467.4745

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O6/c29-22(26-7-5-24-6-8-26)16-1-3-18(19(13-16)28(31)32)25-9-11-27(12-10-25)23(30)17-2-4-20-21(14-17)34-15-33-20/h1-4,13-14,24H,5-12,15H2