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

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

ID: Reference10530

Other Names: Ethanone, 1-[4-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-cyclohexen-1-yl]methyl]-1-piperazinyl]-;
NAT28-411215

Formula: C25H35N5O2

Spectral Data

1-(4-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-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 1842
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/7/2021 9:57:59 AM
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Identificators

InChI InChI=1S/C25H35N5O2/c1-17(2)23-14-21(15-24-27-28-25(32-24)20-5-7-26-8-6-20)18(3)13-22(23)16-29-9-11-30(12-10-29)19(4)31/h5-8,13,17,21-23H,9-12,14-16H2,1-4H3/t21-,22-,23-/m0/s1
InChI Key CKHJNUBIZXDSLA-VABKMULXSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=NC=C3)C(C)C)CN4CCN(CC4)C(=O)C
CAS
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Other Names Ethanone, 1-[4-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-cyclohexen-1-yl]methyl]-1-piperazinyl]-;
NAT28-411215

In Other Databases

PubChem 45783910
ChemSpider 29849360