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

Systemtic Name: 3-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]-3-nitro-benzohydrazide CAS Name: 3-nitro-N'-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-3-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(18-7-4-8-19(14-18)29(32)33)27-26-21-20(30(34)35)22(25-15-24-21)28-11-9-17(10-12-28)13-16-5-2-1-3-6-16/h1-8,14-15,17H,9-13H2,(H,27,31)(H,24,25,26)