3-[[2-fluoranyl-4-(trifluoromethyl)phenoxy]methyl]-6-methyl-azepane

Systemtic Name: 3-[[2-fluoranyl-4-(trifluoromethyl)phenoxy]methyl]-6-methyl-azepane Openeye Name: 3-[[2-fluoro-4-(trifluoromethyl)phenoxy]methyl]-6-methyl-azepane CAS Name: 3-[[2-fluoro-4-(trifluoromethyl)phenoxy]methyl]-6-methylazepane IUPAC Name: 3-[[2-fluoro-4-(trifluoromethyl)phenoxy]methyl]-6-methylazepane Traditional Name: 3-[[2-fluoro-4-(trifluoromethyl)phenoxy]methyl]-6-methyl-azepane Formula: C15H19F4NO MolecularWeight: 305.311073

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CNC1)COC2=C(C=C(C=C2)C(F)(F)F)F

Isomeric SMILES

CC1CCC(CNC1)COC2=C(C=C(C=C2)C(F)(F)F)F

InChI

InChI=1S/C15H19F4NO/c1-10-2-3-11(8-20-7-10)9-21-14-5-4-12(6-13(14)16)15(17,18)19/h4-6,10-11,20H,2-3,7-9H2,1H3