| SpectraBase Spectrum ID |
EOJfOxB9Vag |
| Name |
N-(5-Bromo-2-(piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.100438995 u |
| Formula |
C26H23BrN4O2 |
| InChI |
InChI=1S/C26H23BrN4O2/c27-19-10-11-23(31-14-12-28-13-15-31)22(17-19)30-25(32)21-16-18-6-4-5-9-24(18)33-26(21)29-20-7-2-1-3-8-20/h1-11,16-17,28H,12-15H2,(H,30,32)/b29-26- |
| InChIKey |
UXSNZUUICCVQKN-WCTVFOPTSA-N |
| Molecular Weight |
503.400 g/mol |
| SMILES |
C=1C=2O\C(C(=CC2C=CC1)C(NC1=CC(=CC=C1N1CCNCC1)Br)=O)=N\C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896662 |
