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

Systemtic Name: 4-bromanyl-N'-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 4-bromo-N'-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 4-bromo-N'-[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-bromo-N'-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-bromo-N'-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C21H19BrFN7O3 MolecularWeight: 516.323063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H19BrFN7O3/c22-15-7-5-14(6-8-15)21(31)27-26-19-18(30(32)33)20(25-13-24-19)29-11-9-28(10-12-29)17-4-2-1-3-16(17)23/h1-8,13H,9-12H2,(H,27,31)(H,24,25,26)