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

Systemtic Name: 1-[4-fluoranyl-5-(4-methylpiperidin-1-yl)-2-nitro-phenyl]azepane Openeye Name: 1-[4-fluoro-5-(4-methyl-1-piperidyl)-2-nitro-phenyl]azepane CAS Name: 1-[4-fluoro-5-(4-methyl-1-piperidinyl)-2-nitrophenyl]azepane IUPAC Name: 1-[4-fluoro-5-(4-methylpiperidin-1-yl)-2-nitrophenyl]azepane Traditional Name: 1-[4-fluoro-5-(4-methylpiperidino)-2-nitro-phenyl]azepane Formula: C18H26FN3O2 MolecularWeight: 335.416343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C(=C2)N3CCCCCC3)[N+](=O)[O-])F

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C(=C2)N3CCCCCC3)[N+](=O)[O-])F

InChI

InChI=1S/C18H26FN3O2/c1-14-6-10-21(11-7-14)16-13-17(18(22(23)24)12-15(16)19)20-8-4-2-3-5-9-20/h12-14H,2-11H2,1H3