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

Systemtic Name: 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]benzohydrazide CAS Name: N'-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C22H23N7O3 MolecularWeight: 433.46312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N7O3/c30-22(18-9-5-2-6-10-18)26-25-20-19(29(31)32)21(24-16-23-20)28-13-11-27(12-14-28)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2,(H,26,30)(H,23,24,25)