3-{[(8aR)-2-(4-Methoxybenzyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]methyl}benzonitrile
12538
Reference
3-{[(8aR)-2-(4-Methoxybenzyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]methyl}benzonitrile Structure
Systematic / IUPAC Name: 3-[[(8aR)-2-[(4-Methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile
ID: Reference12538
Other Names: NAT50-557130
Formula: C22H24N4O2
Spectral Data
3-{[(8aR)-2-(4-Methoxybenzyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]methyl}benzonitrile 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 | 220 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/19/2023 12:39:15 PM |
Identificators
| InChI | InChI=1S/C22H24N4O2/c1-28-21-7-5-17(6-8-21)14-25-16-20-15-24(9-10-26(20)22(25)27)13-19-4-2-3-18(11-19)12-23/h2-8,11,20H,9-10,13-16H2,1H3/t20-/m1/s1 |
| InChI Key | UACLHIGUPMNGTN-HXUWFJFHSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)CN2CC3CN(CCN3C2=O)CC4=CC(=CC=C4)C#N |
| CAS | |
| Splash | |
| Other Names | NAT50-557130 |