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

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Systematic / IUPAC Name: 3-[Methyl-[[(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]methyl]amino]propanenitrile

ID: Reference12479

Other Names: NAT28-411373

Formula: C23H31N5O

Spectral Data

3-[{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}(methyl)amino]propanenitrile 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 1933
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 8:40:36 AM
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Identificators

InChI InChI=1S/C23H31N5O/c1-16(2)21-12-19(17(3)11-20(21)15-28(4)10-6-8-24)13-22-26-27-23(29-22)18-7-5-9-25-14-18/h5,7,9,11,14,16,19-21H,6,10,12-13,15H2,1-4H3/t19-,20-,21-/m0/s1
InChI Key VGJRAUJCHRODHZ-ACRUOGEOSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)C3=CN=CC=C3)C(C)C)CN(C)CCC#N
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Other Names NAT28-411373

In Other Databases

PubChem 38030429
ChemSpider 22937438