1-{(1S,4S)-4-[1-(4-Isopropylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-(4-methoxyphenyl)urea
12369
Reference
1-{(1S,4S)-4-[1-(4-Isopropylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-(4-methoxyphenyl)urea Structure
Systematic / IUPAC Name: 1-[(1S,4S)-4-[3,5-Dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]cyclopent-2-en-1-yl]-3-(4-methoxyphenyl)urea
ID: Reference12369
Other Names: NAT16-352630
Formula: C27H32N4O2
Spectral Data
1-{(1S,4S)-4-[1-(4-Isopropylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}-3-(4-methoxyphenyl)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 | 2157 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/17/2023 12:43:14 PM |
Identificators
| InChI | InChI=1S/C27H32N4O2/c1-17(2)20-7-12-24(13-8-20)31-19(4)26(18(3)30-31)21-6-9-23(16-21)29-27(32)28-22-10-14-25(33-5)15-11-22/h6-15,17,21,23H,16H2,1-5H3,(H2,28,29,32)/t21-,23-/m1/s1 |
| InChI Key | UOTRIQMZDFBBAO-FYYLOGMGSA-N |
| Canonical SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)C(C)C)C)C3CC(C=C3)NC(=O)NC4=CC=C(C=C4)OC |
| CAS | |
| Splash | |
| Other Names | NAT16-352630 |