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

Systemtic Name: 3-chloranyl-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-chloro-benzohydrazide CAS Name: 3-chloro-N'-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-3-chlorobenzohydrazide Traditional Name: N'-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-3-chloro-benzohydrazide Formula: C23H23ClN6O3 MolecularWeight: 466.92012

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN6O3/c24-19-8-4-7-18(14-19)23(31)28-27-21-20(30(32)33)22(26-15-25-21)29-11-9-17(10-12-29)13-16-5-2-1-3-6-16/h1-8,14-15,17H,9-13H2,(H,28,31)(H,25,26,27)