1-(4-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-1-piperazinyl)ethanone
12159
Reference
1-(4-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-1-piperazinyl)ethanone Structure
Systematic / IUPAC Name: 1-[4-[[(1S,4S,6S)-3-Methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanone
ID: Reference12159
Other Names: NAT28-411999
Formula: C27H38N4O2
Spectral Data
1-(4-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-methylphenyl)-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1438 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/20/2023 7:54:32 AM |
Identificators
| InChI | InChI=1S/C27H38N4O2/c1-18(2)25-15-23(16-26-28-29-27(33-26)22-8-6-19(3)7-9-22)20(4)14-24(25)17-30-10-12-31(13-11-30)21(5)32/h6-9,14,18,23-25H,10-13,15-17H2,1-5H3/t23-,24-,25-/m0/s1 |
| InChI Key | IZYPLXJVXSJAOC-SDHOMARFSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)C2=NN=C(O2)CC3CC(C(C=C3C)CN4CCN(CC4)C(=O)C)C(C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-411999 |