1-{(1S,4S)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-(3-cyanophenyl)urea
12372
Reference
1-{(1S,4S)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-(3-cyanophenyl)urea Structure
Systematic / IUPAC Name: 1-[(1S,4S)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-(3-cyanophenyl)urea
ID: Reference12372
Other Names: NAT16-353373
Formula: C25H24ClN5O
Spectral Data
1-{(1S,4S)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-(3-cyanophenyl)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 | 2034 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/17/2023 12:51:08 PM |
Identificators
| InChI | InChI=1S/C25H24ClN5O/c1-15-7-10-22(13-23(15)26)31-17(3)24(16(2)30-31)19-8-9-21(12-19)29-25(32)28-20-6-4-5-18(11-20)14-27/h4-11,13,19,21H,12H2,1-3H3,(H2,28,29,32)/t19-,21-/m1/s1 |
| InChI Key | AONWAIPAMWWZGM-TZIWHRDSSA-N |
| Canonical SMILES | CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)C3CC(C=C3)NC(=O)NC4=CC=CC(=C4)C#N)C)Cl |
| CAS | |
| Splash | |
| Other Names | NAT16-353373 |