2-(4-{[(1S,4S,6S)-4-{[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-1-piperazinyl)pyrazine

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Systematic / IUPAC Name: 2-(2-Fluorophenyl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole

ID: Reference12087

Other Names: NAT28-414566

Formula: C28H35FN6O

Spectral Data

2-(4-{[(1S,4S,6S)-4-{[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-1-piperazinyl)pyrazine 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 1549
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/2/2023 3:45:29 PM
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Identificators

InChI InChI=1S/C28H35FN6O/c1-19(2)24-15-21(16-27-32-33-28(36-27)23-6-4-5-7-25(23)29)20(3)14-22(24)18-34-10-12-35(13-11-34)26-17-30-8-9-31-26/h4-9,14,17,19,21-22,24H,10-13,15-16,18H2,1-3H3/t21-,22-,24-/m0/s1
InChI Key VCNRARVLCZHOSU-FIXSFTCYSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=CC=C3F)C(C)C)CN4CCN(CC4)C5=NC=CN=C5
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Other Names NAT28-414566

In Other Databases

ChemSpider 29849452
PubChem 45784109