1-{4-[4-(5-{(2S)-1-[4-(Trifluoromethyl)benzyl]-2-pyrrolidinyl}-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-1-piperazinyl}ethanone

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Systematic / IUPAC Name: 1-[4-[4-[5-[(2S)-1-[[4-(Trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-yl]piperazin-1-yl]ethanone

ID: Reference10042

Other Names: Ethanone, 1-[4-[4-[5-[(2S)-1-[[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1-piperazinyl]-;
NAT18-428445

Formula: C25H27F3N6O2

Spectral Data

1-{4-[4-(5-{(2S)-1-[4-(Trifluoromethyl)benzyl]-2-pyrrolidinyl}-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-1-piperazinyl}ethanone 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
No. of Spectral Trees 1
No. of Spectra 605
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/6/2020 1:56:25 PM
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Identificators

InChI InChI=1S/C25H27F3N6O2/c1-17(35)32-11-13-33(14-12-32)22-15-19(8-9-29-22)23-30-24(36-31-23)21-3-2-10-34(21)16-18-4-6-20(7-5-18)25(26,27)28/h4-9,15,21H,2-3,10-14,16H2,1H3/t21-/m0/s1
InChI Key LFMHNPYCGXHELG-NRFANRHFSA-N
Canonical SMILES CC(=O)N1CCN(CC1)C2=NC=CC(=C2)C3=NOC(=N3)C4CCCN4CC5=CC=C(C=C5)C(F)(F)F
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Other Names Ethanone, 1-[4-[4-[5-[(2S)-1-[[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1-piperazinyl]-;
NAT18-428445

In Other Databases

PubChem 51136829
ChemSpider 29857669