| SpectraBase Spectrum ID |
A1J4sdcHCk4 |
| Name |
N-[2-[4-(2-Chloro-6-fluoro-benzyl)piperazino]ethyl]-N'-(4-ethylphenyl)oxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.188482019 u |
| Formula |
C23H28ClFN4O2 |
| InChI |
InChI=1S/C23H28ClFN4O2/c1-2-17-6-8-18(9-7-17)27-23(31)22(30)26-10-11-28-12-14-29(15-13-28)16-19-20(24)4-3-5-21(19)25/h3-9H,2,10-16H2,1H3,(H,26,30)(H,27,31) |
| InChIKey |
HJDMICLCRCWZFX-UHFFFAOYSA-N |
| Molecular Weight |
446.954 g/mol |
| SMILES |
C1(CN2CCN(CC2)CCNC(C(NC=2C=CC(=CC2)CC)=O)=O)=C(Cl)C=CC=C1F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911303 |
![N-[2-[4-(2-chloro-6-fluoro-benzyl)piperazino]ethyl]-N'-(4-ethylphenyl)oxamide](/api/spectrum/A1J4sdcHCk4/structure.png?h=300&w=458 "N-[2-[4-(2-chloro-6-fluoro-benzyl)piperazino]ethyl]-N'-(4-ethylphenyl)oxamide")
