SpectraBase Spectrum ID |
Jb2EXOMa5jD |
Name |
2-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
367.133219612 u |
Formula |
C20H18FN3O3 |
InChI |
InChI=1S/C20H18FN3O3/c21-14-5-7-15(8-6-14)22-9-11-23(12-10-22)18(25)13-24-19(26)16-3-1-2-4-17(16)20(24)27/h1-8H,9-13H2 |
InChIKey |
KLJNTXKCRDMKQA-UHFFFAOYSA-N |
Molecular Weight |
367.380 g/mol |
SMILES |
C=1C=C2C(N(C(C2=CC1)=O)CC(N1CCN(CC1)C1=CC=C(C=C1)F)=O)=O |