| SpectraBase Spectrum ID |
A0pFO0Y5AtN |
| Name |
2-( 3'-Chlorophenyl)-3-(p-tolyl)-2,3-dihydro-1H-[1,2,4]triazolo[5,1-B]quinazolin-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.109088882 u |
| Formula |
C22H17ClN4O |
| InChI |
InChI=1S/C22H17ClN4O/c1-14-9-11-17(12-10-14)26-20(15-5-4-6-16(23)13-15)25-27-21(28)18-7-2-3-8-19(18)24-22(26)27/h2-13,20,25H,1H3 |
| InChIKey |
QALYRQBXFZVXKD-UHFFFAOYSA-N |
| Molecular Weight |
388.858 g/mol |
| SMILES |
C=12N(NC(N2C=2C=CC(=CC2)C)C=2C=C(Cl)C=CC2)C(C2=C(N1)C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844839 |
![2-( 3'-Chlorophenyl)-3-(p-tolyl)-2,3-dihydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one](/api/spectrum/A0pFO0Y5AtN/structure.png?h=300&w=458 "2-( 3'-Chlorophenyl)-3-(p-tolyl)-2,3-dihydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one")
