2-bromanyl-N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 2-bromanyl-N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 2-bromo-N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 2-bromo-N'-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-bromo-N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 2-bromo-N'-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C21H19BrClN7O3 MolecularWeight: 532.77766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NNC(=O)C4=CC=CC=C4Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NNC(=O)C4=CC=CC=C4Br)[N+](=O)[O-]

InChI

InChI=1S/C21H19BrClN7O3/c22-17-7-2-1-6-16(17)21(31)27-26-19-18(30(32)33)20(25-13-24-19)29-10-8-28(9-11-29)15-5-3-4-14(23)12-15/h1-7,12-13H,8-11H2,(H,27,31)(H,24,25,26)