| SpectraBase Spectrum ID |
9i0X9T0GgAB |
| Name |
7-Bromo-5-(2-chloro-phenyl)-3-(4-m-tolyl-piperazin-1-yl)-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 |
522.082202108 u |
| Formula |
C26H24BrClN4O |
| InChI |
InChI=1S/C26H24BrClN4O/c1-17-5-4-6-19(15-17)31-11-13-32(14-12-31)25-26(33)29-23-10-9-18(27)16-21(23)24(30-25)20-7-2-3-8-22(20)28/h2-10,15-16,25H,11-14H2,1H3,(H,29,33) |
| InChIKey |
VZINRIYTOBUTGG-UHFFFAOYSA-N |
| Molecular Weight |
523.862 g/mol |
| SMILES |
C1(=NC(C(=O)NC2=C1C=C(Br)C=C2)N1CCN(CC1)C1=CC(=CC=C1)C)C1=C(Cl)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950897 |
![7-Bromo-5-(2-chloro-phenyl)-3-(4-m-tolyl-piperazin-1-yl)-1,3-dihydro-benzo[E][1,4]diazepin-2-one](/api/spectrum/9i0X9T0GgAB/structure.png?h=300&w=458 "7-Bromo-5-(2-chloro-phenyl)-3-(4-m-tolyl-piperazin-1-yl)-1,3-dihydro-benzo[E][1,4]diazepin-2-one")
