| SpectraBase Spectrum ID |
DqC3XDjDa16 |
| Name |
1H-1,4-Benzodiazepine, 2,3-dihydro-3-(4-methyl-1-piperazinyl)-7-nitro-5-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.185174999 u |
| Formula |
C20H23N5O2 |
| InChI |
InChI=1S/C20H23N5O2/c1-23-9-11-24(12-10-23)19-14-21-18-8-7-16(25(26)27)13-17(18)20(22-19)15-5-3-2-4-6-15/h2-8,13,19,21H,9-12,14H2,1H3 |
| InChIKey |
JDGDOPWAKYCVLU-UHFFFAOYSA-N |
| Molecular Weight |
365.437 g/mol |
| SMILES |
C1(=NC(CNC2=CC=C(C=C12)N(=O)=O)N1CCN(CC1)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958228 |
