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

Systemtic Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-fluoranyl-benzohydrazide Openeye Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-fluoro-benzohydrazide CAS Name: N'-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-2-fluorobenzohydrazide IUPAC Name: N'-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide Traditional Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-fluoro-benzohydrazide Formula: C17H19FN6O3 MolecularWeight: 374.369563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C17H19FN6O3/c18-13-8-4-3-7-12(13)17(25)22-21-15-14(24(26)27)16(20-11-19-15)23-9-5-1-2-6-10-23/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,22,25)(H,19,20,21)