| SpectraBase Spectrum ID |
2AWorRw6WdU |
| Name |
Benzoic acid,N'-[2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-benzo[E] [1,4]diazepin-1-yl)-acetyl]-hydrazide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
490.064053485 u |
| Formula |
C24H19BrN4O3 |
| InChI |
InChI=1S/C24H19BrN4O3/c25-18-11-12-20-19(13-18)23(16-7-3-1-4-8-16)26-14-22(31)29(20)15-21(30)27-28-24(32)17-9-5-2-6-10-17/h1-13H,14-15H2,(H,27,30)(H,28,32) |
| InChIKey |
RIJLENUQZQYNEV-UHFFFAOYSA-N |
| Molecular Weight |
491.345 g/mol |
| SMILES |
C1=2N(C(CN=C(C2C=C(Br)C=C1)C1=CC=CC=C1)=O)CC(NNC(=O)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956476 |
![Benzoic acid,N'-[2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-benzo[E] [1,4]diazepin-1-yl)-acetyl]-hydrazide](/api/spectrum/2AWorRw6WdU/structure.png?h=300&w=458 "Benzoic acid,N'-[2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-benzo[E] [1,4]diazepin-1-yl)-acetyl]-hydrazide")
