SpectraBase Spectrum ID |
KHxrKWULGqI |
Name |
3-[4-(4-Bromophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
446.064133672 u |
Formula |
C21H20BrFN2O3 |
InChI |
InChI=1S/C21H20BrFN2O3/c22-15-3-1-14(2-4-15)21(28)9-11-24(12-10-21)18-13-19(26)25(20(18)27)17-7-5-16(23)6-8-17/h1-8,18,28H,9-13H2 |
InChIKey |
IZPUFZPNLBBHIK-UHFFFAOYSA-N |
Molecular Weight |
447.304 g/mol |
SMILES |
C=1C(Br)=CC=C(C2(CCN(C3C(N(C(C3)=O)C3=CC=C(C=C3)F)=O)CC2)O)C1 |