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

Systemtic Name: 3-chloranyl-N'-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-3-chloro-benzohydrazide CAS Name: 3-chloro-N'-[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-3-chlorobenzohydrazide Traditional Name: N'-[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-3-chloro-benzohydrazide Formula: C28H26ClN7O3 MolecularWeight: 544.00414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26ClN7O3/c29-23-13-7-12-22(18-23)28(37)33-32-26-25(36(38)39)27(31-19-30-26)35-16-14-34(15-17-35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18-19,24H,14-17H2,(H,33,37)(H,30,31,32)