4-{[(2S)-2-{3-[6-(1H-Imidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzonitrile
10698
Reference
4-{[(2S)-2-{3-[6-(1H-Imidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzonitrile Structure
Systematic / IUPAC Name: 4-[[(2S)-2-[3-(6-Imidazol-1-ylpyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzonitrile
ID: Reference10698
Other Names: NAT18-442323
Formula: C22H19N7O
Spectral Data
4-{[(2S)-2-{3-[6-(1H-Imidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]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 | 1450 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/5/2021 2:07:21 PM |
Identificators
| InChI | InChI=1S/C22H19N7O/c23-12-16-3-5-17(6-4-16)14-28-10-1-2-19(28)22-26-21(27-30-22)18-7-8-20(25-13-18)29-11-9-24-15-29/h3-9,11,13,15,19H,1-2,10,14H2/t19-/m0/s1 |
| InChI Key | XZOBVBRVZLABLD-IBGZPJMESA-N |
| Canonical SMILES | C1CC(N(C1)CC2=CC=C(C=C2)C#N)C3=NC(=NO3)C4=CN=C(C=C4)N5C=CN=C5 |
| CAS | |
| Splash | |
| Other Names | NAT18-442323 |