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N'-(4-chlorophenyl)-N-(3-pyridinylmethyl)-N-[3-(trifluoromethyl)benzyl]urea
SpectraBase Compound ID GHEYR7GTzcW
InChI InChI=1S/C21H17ClF3N3O/c22-18-6-8-19(9-7-18)27-20(29)28(14-16-4-2-10-26-12-16)13-15-3-1-5-17(11-15)21(23,24)25/h1-12H,13-14H2,(H,27,29)
InChIKey KJVGJSWOLQNXFR-UHFFFAOYSA-N
Mol Weight 419.84 g/mol
Molecular Formula C21H17ClF3N3O
Exact Mass 419.101224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9EkFtVlrwm
Name 3-(4-Chloro-phenyl)-1-pyridin-3-ylmethyl-1-(3-trifluoromethyl-benzyl)-urea
Alternate Name(s) N'-(4-chlorophenyl)-N-(3-pyridinylmethyl)-N-[3-(trifluoromethyl)benzyl]urea 3-(4-Chlorophenyl)-1-(3-pyridinylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea 3-(4-Chlorophenyl)-1-(3-pyridylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea 3-(4-Chlorophenyl)-1-(pyridin-3-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
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Formula C21H17ClF3N3O
InChI InChI=1S/C21H17ClF3N3O/c22-18-6-8-19(9-7-18)27-20(29)28(14-16-4-2-10-26-12-16)13-15-3-1-5-17(11-15)21(23,24)25/h1-12H,13-14H2,(H,27,29)
InChIKey KJVGJSWOLQNXFR-UHFFFAOYSA-N
Molecular Weight 419.835 g/mol
SMILES N(C(N(Cc1cnccc1)Cc1cc(C(F)(F)F)ccc1)=O)c1ccc(cc1)Cl
SPLASH splash10-004l-8900000000-6499455cc01bf7882042
Wiley ID 1447267