2-[4-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-1-piperazinyl]pyrimidine

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

ID: Reference12090

Other Names: NAT28-410495

Formula: C28H36N6O

Spectral Data

2-[4-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-1-piperazinyl]pyrimidine 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 1403
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/2/2023 3:51:32 PM
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Identificators

InChI InChI=1S/C28H36N6O/c1-20(2)25-17-23(18-26-31-32-27(35-26)22-8-5-4-6-9-22)21(3)16-24(25)19-33-12-14-34(15-13-33)28-29-10-7-11-30-28/h4-11,16,20,23-25H,12-15,17-19H2,1-3H3/t23-,24-,25-/m0/s1
InChI Key IPWMPFZLADBYEF-SDHOMARFSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=CC=C3)C(C)C)CN4CCN(CC4)C5=NC=CC=N5
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Other Names NAT28-410495

In Other Databases

PubChem 45783907
ChemSpider 29849357