1-(4-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-1-piperazinyl)ethanone
11902
Reference
1-(4-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-nitrophenyl)-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-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanone
ID: Reference11902
Other Names: NAT28-412895
Formula: C26H35N5O4
Spectral Data
1-(4-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-nitrophenyl)-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 | 1586 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/2/2022 9:02:28 AM |
Identificators
| InChI | InChI=1S/C26H35N5O4/c1-17(2)24-14-21(18(3)13-22(24)16-29-9-11-30(12-10-29)19(4)32)15-25-27-28-26(35-25)20-5-7-23(8-6-20)31(33)34/h5-8,13,17,21-22,24H,9-12,14-16H2,1-4H3/t21-,22-,24-/m0/s1 |
| InChI Key | DBHIDFGMENWKLA-FIXSFTCYSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C)CN4CCN(CC4)C(=O)C |
| CAS | |
| Splash | |
| Other Names | NAT28-412895 |