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

Systemtic Name: 2-nitro-N'-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide CAS Name: 2-nitro-N'-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide Traditional Name: N'-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide Formula: C23H23N7O5 MolecularWeight: 477.47262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NNC(=O)C4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NNC(=O)C4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

InChI

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