| SpectraBase Spectrum ID |
6UC1uWNASXP |
| Name |
7-Bromo-5-(2-chloro-phenyl)-3-(4-chloro-phenylamino)-1,3-dihydro- benzo[E][1,4]diazepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.969730482 u |
| Formula |
C21H14BrCl2N3O |
| InChI |
InChI=1S/C21H14BrCl2N3O/c22-12-5-10-18-16(11-12)19(15-3-1-2-4-17(15)24)27-20(21(28)26-18)25-14-8-6-13(23)7-9-14/h1-11,20,25H,(H,26,28) |
| InChIKey |
YUKJTOVYWTYFAS-UHFFFAOYSA-N |
| Molecular Weight |
475.173 g/mol |
| SMILES |
C1=C(Br)C=C2C(=C1)NC(=O)C(N=C2C1=CC=CC=C1Cl)NC1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925449 |
![7-Bromo-5-(2-chloro-phenyl)-3-(4-chloro-phenylamino)-1,3-dihydro- benzo[E][1,4]diazepin-2-one](/api/spectrum/6UC1uWNASXP/structure.png?h=300&w=458 "7-Bromo-5-(2-chloro-phenyl)-3-(4-chloro-phenylamino)-1,3-dihydro- benzo[E][1,4]diazepin-2-one")
