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

Systemtic Name: 4-bromanyl-N'-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 4-bromo-N'-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 4-bromo-N'-[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-bromo-N'-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-bromo-N'-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C18H21BrN6O3 MolecularWeight: 449.30174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H21BrN6O3/c1-2-14-5-3-4-10-24(14)17-15(25(27)28)16(20-11-21-17)22-23-18(26)12-6-8-13(19)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,23,26)(H,20,21,22)