4-nitro-N'-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-nitro-N'-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide CAS Name: 4-nitro-N'-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide Traditional Name: N'-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide Formula: C22H22N8O5 MolecularWeight: 478.46068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

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