1-(4-{[(1S,4S,6S)-4-({5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}methyl)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-1-piperazinyl)ethanone
10578
Reference
1-(4-{[(1S,4S,6S)-4-({5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}methyl)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-1-piperazinyl)ethanone Structure
Systematic / IUPAC Name: 1-[4-[[(1S,4S,6S)-4-[[5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanone
ID: Reference10578
Other Names: NAT28-412559
Formula: C28H41N5O2
Spectral Data
1-(4-{[(1S,4S,6S)-4-({5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}methyl)-6-isopropyl-3-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 | 1728 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/24/2021 11:06:59 AM |
Identificators
| InChI | InChI=1S/C28H41N5O2/c1-19(2)26-16-23(20(3)15-24(26)18-32-11-13-33(14-12-32)21(4)34)17-27-29-30-28(35-27)22-7-9-25(10-8-22)31(5)6/h7-10,15,19,23-24,26H,11-14,16-18H2,1-6H3/t23-,24-,26-/m0/s1 |
| InChI Key | SMIJGLWESJLQJA-GNKBHMEESA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CN4CCN(CC4)C(=O)C |
| CAS | |
| Splash | |
| Other Names | NAT28-412559 |