1-(3-Cyanophenyl)-3-[(1S,4S)-4-{3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]urea
12167
Reference
1-(3-Cyanophenyl)-3-[(1S,4S)-4-{3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]urea Structure
Systematic / IUPAC Name: 1-(3-Cyanophenyl)-3-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]urea
ID: Reference12167
Other Names: NAT16-368422
Formula: C25H22F3N5O
Spectral Data
1-(3-Cyanophenyl)-3-[(1S,4S)-4-{3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]urea 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 | 1946 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/24/2023 9:49:44 AM |
Identificators
| InChI | InChI=1S/C25H22F3N5O/c1-15-23(16(2)33(32-15)22-10-7-19(8-11-22)25(26,27)28)18-6-9-21(13-18)31-24(34)30-20-5-3-4-17(12-20)14-29/h3-12,18,21H,13H2,1-2H3,(H2,30,31,34)/t18-,21-/m1/s1 |
| InChI Key | SXVJTBWKWIMJSX-WIYYLYMNSA-N |
| Canonical SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)C(F)(F)F)C)C3CC(C=C3)NC(=O)NC4=CC=CC(=C4)C#N |
| CAS | |
| Splash | |
| Other Names | NAT16-368422 |