SpectraBase Spectrum ID |
3jbTrrtGVDk |
Name |
1-Piperazineacetic acid, 4-(phenylmethyl)-, 2-[(E)-[4-(trifluoromethyl)phenyl]methylidene]hydrazide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
404.182395865 u |
Formula |
C21H23F3N4O |
InChI |
InChI=1S/C21H23F3N4O/c22-21(23,24)19-8-6-17(7-9-19)14-25-26-20(29)16-28-12-10-27(11-13-28)15-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,26,29)/b25-14+ |
InChIKey |
VMQJJDRRNOKPMI-AFUMVMLFSA-N |
Molecular Weight |
404.437 g/mol |
SMILES |
N(C(CN1CCN(CC1)CC=1C=CC=CC1)=O)\N=C\C1=CC=C(C(F)(F)F)C=C1 |