3-[({(1S,4S)-4-[1-(4-Isopropylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}amino)methyl]benzonitrile
12145
Reference
3-[({(1S,4S)-4-[1-(4-Isopropylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}amino)methyl]benzonitrile Structure
Systematic / IUPAC Name: 3-[[[(1S,4S)-4-[3,5-Dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]cyclopent-2-en-1-yl]amino]methyl]benzonitrile
ID: Reference12145
Other Names: NAT16-352616
Formula: C27H30N4
Spectral Data
3-[({(1S,4S)-4-[1-(4-Isopropylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}amino)methyl]benzonitrile 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 | 1093 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/16/2023 5:18:37 PM |
Identificators
| InChI | InChI=1S/C27H30N4/c1-18(2)23-9-12-26(13-10-23)31-20(4)27(19(3)30-31)24-8-11-25(15-24)29-17-22-7-5-6-21(14-22)16-28/h5-14,18,24-25,29H,15,17H2,1-4H3/t24-,25-/m1/s1 |
| InChI Key | SPSHMHBLOYOLSW-JWQCQUIFSA-N |
| Canonical SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)C(C)C)C)C3CC(C=C3)NCC4=CC(=CC=C4)C#N |
| CAS | |
| Splash | |
| Other Names | NAT16-352616 |