| SpectraBase Spectrum ID |
LvTx2grGkTo |
| Name |
7-Chloro-1,3-dihydro-1-(3-phenoxypropyl)-5-phenyl-2H-1,4-benzodiazepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.129155622 u |
| Formula |
C24H21ClN2O2 |
| InChI |
InChI=1S/C24H21ClN2O2/c25-19-12-13-22-21(16-19)24(18-8-3-1-4-9-18)26-17-23(28)27(22)14-7-15-29-20-10-5-2-6-11-20/h1-6,8-13,16H,7,14-15,17H2 |
| InChIKey |
FLFWHTMLPGQMBX-UHFFFAOYSA-N |
| Molecular Weight |
404.897 g/mol |
| SMILES |
C=1C(=CC=CC1)OCCCN1C(=O)CN=C(C2=C1C=CC(Cl)=C2)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.986352 |
