| SpectraBase Spectrum ID |
44cAee3Lq48 |
| Name |
N(1)-{4'-[3''-Cyano-2''-oxo-6''-(p-fluorophenyl)-1'',2''-dihydro-4''-pyridinyl]phenyl}-5-chloro-2-methoxybenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.094247279 u |
| Formula |
C26H17ClFN3O3 |
| InChI |
InChI=1S/C26H17ClFN3O3/c1-34-24-11-6-17(27)12-21(24)25(32)30-19-9-4-15(5-10-19)20-13-23(31-26(33)22(20)14-29)16-2-7-18(28)8-3-16/h2-13H,1H3,(H,30,32)(H,31,33) |
| InChIKey |
WQNKIWPKRPNOSU-UHFFFAOYSA-N |
| Molecular Weight |
473.891 g/mol |
| SMILES |
C1(=C(C=C(NC1=O)C1=CC=C(C=C1)F)C1=CC=C(NC(C=2C(=CC=C(C2)Cl)OC)=O)C=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946925 |
![N(1)-{4'-[3''-Cyano-2''-oxo-6''-(p-fluorophenyl)-1'',2''-dihydro-4''-pyridinyl]phenyl}-5-chloro-2-methoxybenzamide](/api/spectrum/44cAee3Lq48/structure.png?h=300&w=458 "N(1)-{4'-[3''-Cyano-2''-oxo-6''-(p-fluorophenyl)-1'',2''-dihydro-4''-pyridinyl]phenyl}-5-chloro-2-methoxybenzamide")
