N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-2-cyclohexen-1-yl]methyl}isonicotinamide
10418
Reference
N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-2-cyclohexen-1-yl]methyl}isonicotinamide Structure
Systematic / IUPAC Name: N-[[(1S,4S,6S)-3-Methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide
ID: Reference10418
Other Names: NAT28-406825
Formula: C28H37N5O2
Spectral Data
N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-2-cyclohexen-1-yl]methyl}isonicotinamide 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 | 2 |
| No. of Spectra | 2822 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/30/2021 12:17:54 PM |
Identificators
| InChI | InChI=1S/C28H37N5O2/c1-20(2)25-17-23(21(3)16-24(25)19-31-28(35)22-7-10-29-11-8-22)18-27(34)33-14-12-32(13-15-33)26-6-4-5-9-30-26/h4-11,16,20,23-25H,12-15,17-19H2,1-3H3,(H,31,35)/t23-,24-,25-/m0/s1 |
| InChI Key | UGIHUWKDACYZBD-SDHOMARFSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)N2CCN(CC2)C3=CC=CC=N3)C(C)C)CNC(=O)C4=CC=NC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT28-406825 |