1-{(1S,4S)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-phenylurea
11894
Reference
1-{(1S,4S)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-phenylurea Structure
Systematic / IUPAC Name: 1-[(1S,4S)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-phenylurea
ID: Reference11894
Other Names: NAT16-353367
Formula: C24H25ClN4O
Spectral Data
1-{(1S,4S)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-phenylurea 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 | 1889 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/31/2022 12:21:15 PM |
Identificators
| InChI | InChI=1S/C24H25ClN4O/c1-15-9-12-21(14-22(15)25)29-17(3)23(16(2)28-29)18-10-11-20(13-18)27-24(30)26-19-7-5-4-6-8-19/h4-12,14,18,20H,13H2,1-3H3,(H2,26,27,30)/t18-,20-/m1/s1 |
| InChI Key | RXAVLWLKKTYYPR-UYAOXDASSA-N |
| Canonical SMILES | CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)C3CC(C=C3)NC(=O)NC4=CC=CC=C4)C)Cl |
| CAS | |
| Splash | |
| Other Names | NAT16-353367 |