[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propyl]azanium

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propyl]azanium Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propyl]ammonium CAS Name: [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propyl]ammonium IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propyl]azanium Traditional Name: [2-(3-fluoroanilino)-2-keto-ethyl]-methyl-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propyl]ammonium Formula: C21H21F4N4O2+ MolecularWeight: 437.410653

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCC1=NC(=NO1)C2=CC(=CC=C2)C(F)(F)F)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C[NH+](CCCC1=NC(=NO1)C2=CC(=CC=C2)C(F)(F)F)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H20F4N4O2/c1-29(13-18(30)26-17-8-3-7-16(22)12-17)10-4-9-19-27-20(28-31-19)14-5-2-6-15(11-14)21(23,24)25/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,26,30)/p+1