4-[({[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}amino)methyl]benzonitrile

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Systematic / IUPAC Name: 4-[[[(1S,4S,6S)-3-Methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]methyl]benzonitrile

ID: Reference13050

Other Names: NAT28-411426

Formula: C27H31N5O

Spectral Data

4-[({[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}amino)methyl]benzonitrile 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 1060
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/7/2024 1:06:30 PM
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Identificators

InChI InChI=1S/C27H31N5O/c1-18(2)25-12-23(13-26-31-32-27(33-26)22-5-4-10-29-16-22)19(3)11-24(25)17-30-15-21-8-6-20(14-28)7-9-21/h4-11,16,18,23-25,30H,12-13,15,17H2,1-3H3/t23-,24-,25-/m0/s1
InChI Key QQYXGVUICJTBAN-SDHOMARFSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)C3=CN=CC=C3)C(C)C)CNCC4=CC=C(C=C4)C#N
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Other Names NAT28-411426

In Other Databases

PubChem 38030471
ChemSpider 22937444