1-{4-[4-(5-{(2S)-1-[3-(Trifluoromethoxy)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-[[3-(Trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-yl]piperazin-1-yl]ethanone

ID: Reference11876

Other Names: NAT18-428453

Formula: C25H27F3N6O3

Spectral Data

1-{4-[4-(5-{(2S)-1-[3-(Trifluoromethoxy)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 720
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2022 8:10:06 AM
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Identificators

InChI InChI=1S/C25H27F3N6O3/c1-17(35)32-10-12-33(13-11-32)22-15-19(7-8-29-22)23-30-24(37-31-23)21-6-3-9-34(21)16-18-4-2-5-20(14-18)36-25(26,27)28/h2,4-5,7-8,14-15,21H,3,6,9-13,16H2,1H3/t21-/m0/s1
InChI Key FQIXGUACWVJMAN-NRFANRHFSA-N
Canonical SMILES CC(=O)N1CCN(CC1)C2=NC=CC(=C2)C3=NOC(=N3)C4CCCN4CC5=CC(=CC=C5)OC(F)(F)F
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Other Names NAT18-428453

In Other Databases

PubChem 51136835
ChemSpider 29857675