| SpectraBase Spectrum ID |
8VvdzXbO7kH |
| Name |
4-(4-Benzylpiperazin-1-yl)-N-(4-chlorophenyl)-3-nitro-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.145868314 u |
| Formula |
C24H23ClN4O3 |
| InChI |
InChI=1S/C24H23ClN4O3/c25-20-7-9-21(10-8-20)26-24(30)19-6-11-22(23(16-19)29(31)32)28-14-12-27(13-15-28)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,26,30) |
| InChIKey |
RHLBZXMMPSGVBP-UHFFFAOYSA-N |
| Molecular Weight |
450.926 g/mol |
| SMILES |
C=1(N(=O)=O)C(N2CCN(CC2)CC2=CC=CC=C2)=CC=C(C(NC=2C=CC(=CC2)Cl)=O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920934 |
