| SpectraBase Spectrum ID |
FmRYHounvtW |
| Name |
N-{3-Cyano-4,5-dimethyl-1-[(3-pyridyl)methyl]pyrrol-2-yl}-alpha,alpha,alpha-trifluoro-p-toluamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.135445671 u |
| Formula |
C21H17F3N4O |
| InChI |
InChI=1S/C21H17F3N4O/c1-13-14(2)28(12-15-4-3-9-26-11-15)19(18(13)10-25)27-20(29)16-5-7-17(8-6-16)21(22,23)24/h3-9,11H,12H2,1-2H3,(H,27,29) |
| InChIKey |
HJWPTIUXBWDNSR-UHFFFAOYSA-N |
| Molecular Weight |
398.389 g/mol |
| SMILES |
N(C(C1=CC=C(C=C1)C(F)(F)F)=O)C1=C(C(=C(N1CC=1C=NC=CC1)C)C)C#N |
![N-{3-cyano-4,5-dimethyl-1-[(3-pyridyl)methyl]pyrrol-2-yl}-alpha,alpha,alpha-trifluoro-p-toluamide](/api/spectrum/FmRYHounvtW/structure.png?h=300&w=458 "N-{3-cyano-4,5-dimethyl-1-[(3-pyridyl)methyl]pyrrol-2-yl}-alpha,alpha,alpha-trifluoro-p-toluamide")
