{(2R,4S,5R)-5-[1-Methyl-3-(2-naphthyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl [3-(trifluoromethyl)phenyl]carbamate

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Systematic / IUPAC Name: [(2R,4S,5R)-5-(2-Methyl-5-naphthalen-2-ylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl N-[3-(trifluoromethyl)phenyl]carbamate

ID: Reference9078

Other Names: Carbamic acid, N-[3-(trifluoromethyl)phenyl]-, [(2R,4S,5R)-5-[1-methyl-3-(2-naphthalenyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-338993

Formula: C30H29F3N4O2

Spectral Data

{(2R,4S,5R)-5-[1-Methyl-3-(2-naphthyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl [3-(trifluoromethyl)phenyl]carbamate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 2593
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/6/2019 11:19:56 AM
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Identificators

InChI InChI=1S/C30H29F3N4O2/c1-36-28(16-27(35-36)22-10-9-19-5-2-3-6-20(19)13-22)26-17-37-12-11-21(26)14-25(37)18-39-29(38)34-24-8-4-7-23(15-24)30(31,32)33/h2-10,13,15-16,21,25-26H,11-12,14,17-18H2,1H3,(H,34,38)/t21-,25+,26-/m0/s1
InChI Key COZFDLURHJBMRN-BYXVTNLJSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC3=CC=CC=C3C=C2)C4CN5CCC4CC5COC(=O)NC6=CC=CC(=C6)C(F)(F)F
CAS
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Other Names Carbamic acid, N-[3-(trifluoromethyl)phenyl]-, [(2R,4S,5R)-5-[1-methyl-3-(2-naphthalenyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-338993

In Other Databases

PubChem 44716362
ChemSpider 21381234