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

Systemtic Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyridine-3-carbohydrazide Openeye Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyridine-3-carbohydrazide CAS Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3-pyridinecarbohydrazide IUPAC Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide Traditional Name: N'-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]nicotinohydrazide 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=CN=CC=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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