1-[4-(4-{5-[(2S)-1-(2-Methylbenzyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-1-piperazinyl]ethanone
12981
Reference
1-[4-(4-{5-[(2S)-1-(2-Methylbenzyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-1-piperazinyl]ethanone Structure
Systematic / IUPAC Name: 1-[4-[4-[5-[(2S)-1-[(2-Methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-yl]piperazin-1-yl]ethanone
ID: Reference12981
Other Names: NAT18-428443
Formula: C25H30N6O2
Spectral Data
1-[4-(4-{5-[(2S)-1-(2-Methylbenzyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-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 | 420 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/24/2024 9:02:42 AM |
Identificators
| InChI | InChI=1S/C25H30N6O2/c1-18-6-3-4-7-21(18)17-31-11-5-8-22(31)25-27-24(28-33-25)20-9-10-26-23(16-20)30-14-12-29(13-15-30)19(2)32/h3-4,6-7,9-10,16,22H,5,8,11-15,17H2,1-2H3/t22-/m0/s1 |
| InChI Key | YZEGBVNTCGMZDW-QFIPXVFZSA-N |
| Canonical SMILES | CC1=CC=CC=C1CN2CCCC2C3=NC(=NO3)C4=CC(=NC=C4)N5CCN(CC5)C(=O)C |
| CAS | |
| Splash | |
| Other Names | NAT18-428443 |