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

Systemtic Name: 3-chloranyl-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]-3-chloro-benzohydrazide CAS Name: 3-chloro-N'-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-3-chlorobenzohydrazide Traditional Name: N'-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-3-chloro-benzohydrazide Formula: C22H22ClN7O3 MolecularWeight: 467.90818

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN7O3/c23-18-8-4-7-17(13-18)22(31)27-26-20-19(30(32)33)21(25-15-24-20)29-11-9-28(10-12-29)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,27,31)(H,24,25,26)