SpectraBase Spectrum ID |
4Bz3XKthxsm |
Name |
3-[4-(3-Chlorophenyl)piperazin-1-yl]carbonyl-8-prop-2-enyl-chromen-2-one |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
408.124070241 u |
Formula |
C23H21ClN2O3 |
InChI |
InChI=1S/C23H21ClN2O3/c1-2-5-16-6-3-7-17-14-20(23(28)29-21(16)17)22(27)26-12-10-25(11-13-26)19-9-4-8-18(24)15-19/h2-4,6-9,14-15H,1,5,10-13H2 |
InChIKey |
ZJAVTOYUBWPPFH-UHFFFAOYSA-N |
Molecular Weight |
408.885 g/mol |
SMILES |
C=1(C(OC2=C(C1)C=CC=C2CC=C)=O)C(N1CCN(CC1)C=1C=C(Cl)C=CC1)=O |