2-(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)pyrimidine
12088
Reference
2-(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)pyrimidine Structure
Systematic / IUPAC Name: 2-(4-Methylphenyl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
ID: Reference12088
Other Names: NAT28-412063
Formula: C29H38N6O
Spectral Data
2-(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)pyrimidine 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 | 1198 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/2/2023 3:47:22 PM |
Identificators
| InChI | InChI=1S/C29H38N6O/c1-20(2)26-17-24(18-27-32-33-28(36-27)23-8-6-21(3)7-9-23)22(4)16-25(26)19-34-12-14-35(15-13-34)29-30-10-5-11-31-29/h5-11,16,20,24-26H,12-15,17-19H2,1-4H3/t24-,25-,26-/m0/s1 |
| InChI Key | MGORCAHXIDEMCE-GSDHBNRESA-N |
| Canonical SMILES | CC1=CC=C(C=C1)C2=NN=C(O2)CC3CC(C(C=C3C)CN4CCN(CC4)C5=NC=CC=N5)C(C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-412063 |