Systematic / IUPAC Name: 4-(Dimethylamino)-N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]benzamide
ID: Reference11087
Other Names: NAT16-353223
Formula: C25H27FN4O
4-(Dimethylamino)-N-{(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}benzamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 939 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 12/3/2021 12:05:52 PM |
InChI | InChI=1S/C25H27FN4O/c1-16-24(17(2)30(28-16)23-13-8-20(26)9-14-23)19-5-10-21(15-19)27-25(31)18-6-11-22(12-7-18)29(3)4/h5-14,19,21H,15H2,1-4H3,(H,27,31)/t19-,21-/m1/s1 |
InChI Key | WFVCHDXMBXGGBT-TZIWHRDSSA-N |
Canonical SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C3CC(C=C3)NC(=O)C4=CC=C(C=C4)N(C)C |
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Other Names | NAT16-353223 |