| SpectraBase Spectrum ID |
FKASUbqA3V9 |
| Name |
7-Bromo-5-(2-chloro-phenyl)-3-(4-phenyl-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 |
508.066552043 u |
| Formula |
C25H22BrClN4O |
| InChI |
InChI=1S/C25H22BrClN4O/c26-17-10-11-22-20(16-17)23(19-8-4-5-9-21(19)27)29-24(25(32)28-22)31-14-12-30(13-15-31)18-6-2-1-3-7-18/h1-11,16,24H,12-15H2,(H,28,32) |
| InChIKey |
KCQLSHGTUFCBHG-UHFFFAOYSA-N |
| Molecular Weight |
509.835 g/mol |
| SMILES |
C1(=NC(C(=O)NC2=C1C=C(Br)C=C2)N1CCN(CC1)C1=CC=CC=C1)C1=C(Cl)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932367 |
![7-Bromo-5-(2-chloro-phenyl)-3-(4-phenyl-piperazin-1-yl)-1,3-dihydro-benzo[E][1,4]diazepin-2-one](/api/spectrum/FKASUbqA3V9/structure.png?h=300&w=458 "7-Bromo-5-(2-chloro-phenyl)-3-(4-phenyl-piperazin-1-yl)-1,3-dihydro-benzo[E][1,4]diazepin-2-one")
