1-Benzyl-3-{(1S,4S)-4-[3,5-dimethyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}urea
10524
Reference
1-Benzyl-3-{(1S,4S)-4-[3,5-dimethyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}urea Structure
Systematic / IUPAC Name: 1-Benzyl-3-[(1S,4S)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]urea
ID: Reference10524
Other Names: NAT16-352684
Formula: C23H25N5O
Spectral Data
1-Benzyl-3-{(1S,4S)-4-[3,5-dimethyl-1-(2-pyridinyl)-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 | 615 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/4/2021 9:43:01 AM |
Identificators
| InChI | InChI=1S/C23H25N5O/c1-16-22(17(2)28(27-16)21-10-6-7-13-24-21)19-11-12-20(14-19)26-23(29)25-15-18-8-4-3-5-9-18/h3-13,19-20H,14-15H2,1-2H3,(H2,25,26,29)/t19-,20-/m1/s1 |
| InChI Key | KIAJYTXLRKDVLZ-WOJBJXKFSA-N |
| Canonical SMILES | CC1=C(C(=NN1C2=CC=CC=N2)C)C3CC(C=C3)NC(=O)NCC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT16-352684 |