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

Systemtic Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide Openeye Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide CAS Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-pyridinecarbohydrazide IUPAC Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide Traditional Name: N'-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]isonicotinohydrazide Formula: C22H22N8O5 MolecularWeight: 478.46068

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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=NC=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22N8O5/c31-22(16-3-5-23-6-4-16)27-26-20-19(30(32)33)21(25-13-24-20)29-9-7-28(8-10-29)12-15-1-2-17-18(11-15)35-14-34-17/h1-6,11,13H,7-10,12,14H2,(H,27,31)(H,24,25,26)