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

Systemtic Name: 1-[4-fluoranyl-5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]azepane Openeye Name: 1-[4-fluoro-5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]azepane CAS Name: 1-[4-fluoro-5-(4-methyl-1-piperazinyl)-2-nitrophenyl]azepane IUPAC Name: 1-[4-fluoro-5-(4-methylpiperazin-1-yl)-2-nitrophenyl]azepane Traditional Name: 1-[4-fluoro-5-(4-methylpiperazino)-2-nitro-phenyl]azepane Formula: C17H25FN4O2 MolecularWeight: 336.404403

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C(=C2)N3CCCCCC3)[N+](=O)[O-])F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C(=C2)N3CCCCCC3)[N+](=O)[O-])F

InChI

InChI=1S/C17H25FN4O2/c1-19-8-10-21(11-9-19)15-13-16(17(22(23)24)12-14(15)18)20-6-4-2-3-5-7-20/h12-13H,2-11H2,1H3