| SpectraBase Spectrum ID |
Ay1IZnsRotu |
| Name |
N-[2-[4-(2-Bromobenzoyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.105918297 u |
| Formula |
C22H25BrN4O4 |
| InChI |
InChI=1S/C22H25BrN4O4/c1-31-17-8-6-16(7-9-17)25-21(29)20(28)24-10-11-26-12-14-27(15-13-26)22(30)18-4-2-3-5-19(18)23/h2-9H,10-15H2,1H3,(H,24,28)(H,25,29) |
| InChIKey |
NPZQBEDBPMWFQE-UHFFFAOYSA-N |
| Molecular Weight |
489.370 g/mol |
| SMILES |
C(C1=C(Br)C=CC=C1)(N1CCN(CC1)CCNC(C(NC1=CC=C(C=C1)OC)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931087 |
![N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide](/api/spectrum/Ay1IZnsRotu/structure.png?h=300&w=458 "N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide")
