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2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl N-[3-(trifluoromethyl)phenyl]carbonylcarbamate
SpectraBase Compound ID 4HMYDMAfWUQ
InChI InChI=1S/C21H19ClF6N4O3/c22-16-11-15(21(26,27)28)12-29-17(16)32-6-4-31(5-7-32)8-9-35-19(34)30-18(33)13-2-1-3-14(10-13)20(23,24)25/h1-3,10-12H,4-9H2,(H,30,33,34)
InChIKey VDRXGIOZZIQMOG-UHFFFAOYSA-N
Mol Weight 524.85 g/mol
Molecular Formula C21H19ClF6N4O3
Exact Mass 524.104987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InxVlDZDZ51
Name 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl N-[3-(trifluoromethyl)phenyl]carbonylcarbamate
Alternate Name(s) 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethyl N-[3-(trifluoromethyl)benzoyl]carbamate 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl N-[3-(trifluoromethyl)benzoyl]carbamate N-[3-(trifluoromethyl)benzoyl]carbamic acid 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]ethyl ester N-[oxo-[3-(trifluoromethyl)phenyl]methyl]carbamic acid 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethyl ester
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Formula C21H19ClF6N4O3
InChI InChI=1S/C21H19ClF6N4O3/c22-16-11-15(21(26,27)28)12-29-17(16)32-6-4-31(5-7-32)8-9-35-19(34)30-18(33)13-2-1-3-14(10-13)20(23,24)25/h1-3,10-12H,4-9H2,(H,30,33,34)
InChIKey VDRXGIOZZIQMOG-UHFFFAOYSA-N
Molecular Weight 524.851 g/mol
SMILES N(C(OCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)=O)C(c1cc(C(F)(F)F)ccc1)=O
SPLASH splash10-00dj-7950000000-865477260e355f0b7d8b
Wiley ID 1445052