| SpectraBase Spectrum ID |
DNPgfc0S3nz |
| Name |
2-(1,3-Diketo-4H-isoquinolin-2-yl)-N-phenyl-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.116092380 u |
| Formula |
C22H16N2O3 |
| InChI |
InChI=1S/C22H16N2O3/c25-20-14-15-8-4-5-11-17(15)22(27)24(20)19-13-7-6-12-18(19)21(26)23-16-9-2-1-3-10-16/h1-13H,14H2,(H,23,26) |
| InChIKey |
HZCMOSLBBBVUFL-UHFFFAOYSA-N |
| Molecular Weight |
356.381 g/mol |
| SMILES |
C1(N(C(CC2=CC=CC=C12)=O)C=1C(C(NC=2C=CC=CC2)=O)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943393 |
