N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]benzohydrazide Formula: C23H23N7O5 MolecularWeight: 477.47262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NNC(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NNC(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H23N7O5/c31-23(17-4-2-1-3-5-17)27-26-21-20(30(32)33)22(25-14-24-21)29-10-8-28(9-11-29)13-16-6-7-18-19(12-16)35-15-34-18/h1-7,12,14H,8-11,13,15H2,(H,27,31)(H,24,25,26)