| SpectraBase Spectrum ID |
LGtzOC9tAbo |
| Name |
1H-1,4-Benzodiazepine, 7-chloro-2,3-dihydro-3-(4-methyl-1-piperazinyl)-5-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.161124457 u |
| Formula |
C20H23ClN4 |
| InChI |
InChI=1S/C20H23ClN4/c1-24-9-11-25(12-10-24)19-14-22-18-8-7-16(21)13-17(18)20(23-19)15-5-3-2-4-6-15/h2-8,13,19,22H,9-12,14H2,1H3 |
| InChIKey |
FPHDKYYMNALQDX-UHFFFAOYSA-N |
| Molecular Weight |
354.885 g/mol |
| SMILES |
C1(=NC(CNC=2C1=CC(=CC2)Cl)N1CCN(CC1)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932944 |
