1-Benzyl-3-{(1S,4S)-4-[1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}urea
11086
Reference
1-Benzyl-3-{(1S,4S)-4-[1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}urea Structure
Systematic / IUPAC Name: 1-Benzyl-3-[(1S,4S)-4-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]urea
ID: Reference11086
Other Names: NAT16-352855
Formula: C25H28N4O2
Spectral Data
1-Benzyl-3-{(1S,4S)-4-[1-(4-methoxyphenyl)-3,5-dimethyl-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 | 2198 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/3/2021 12:02:54 PM |
Identificators
| InChI | InChI=1S/C25H28N4O2/c1-17-24(18(2)29(28-17)22-11-13-23(31-3)14-12-22)20-9-10-21(15-20)27-25(30)26-16-19-7-5-4-6-8-19/h4-14,20-21H,15-16H2,1-3H3,(H2,26,27,30)/t20-,21-/m1/s1 |
| InChI Key | ATCYKPSIKVPANZ-NHCUHLMSSA-N |
| Canonical SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)OC)C)C3CC(C=C3)NC(=O)NCC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT16-352855 |