1-[5-(4-ethylpiperazin-1-yl)-4-fluoranyl-2-nitro-phenyl]azepane

Systemtic Name: 1-[5-(4-ethylpiperazin-1-yl)-4-fluoranyl-2-nitro-phenyl]azepane Openeye Name: 1-[5-(4-ethylpiperazin-1-yl)-4-fluoro-2-nitro-phenyl]azepane CAS Name: 1-[5-(4-ethyl-1-piperazinyl)-4-fluoro-2-nitrophenyl]azepane IUPAC Name: 1-[5-(4-ethylpiperazin-1-yl)-4-fluoro-2-nitrophenyl]azepane Traditional Name: 1-[5-(4-ethylpiperazino)-4-fluoro-2-nitro-phenyl]azepane Formula: C18H27FN4O2 MolecularWeight: 350.430983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C(=C2)N3CCCCCC3)[N+](=O)[O-])F

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C(=C2)N3CCCCCC3)[N+](=O)[O-])F

InChI

InChI=1S/C18H27FN4O2/c1-2-20-9-11-22(12-10-20)16-14-17(18(23(24)25)13-15(16)19)21-7-5-3-4-6-8-21/h13-14H,2-12H2,1H3