| SpectraBase Spectrum ID |
JNeD6PDD6IM |
| Name |
(Z)-1-(2-(3-Cyano-4,6-dimethyl-2-oxopyridin-1(2H)-ylamino)-1-phenylvinylamino)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.180423970 u |
| Formula |
C24H22N6O2 |
| InChI |
InChI=1S/C24H22N6O2/c1-15-10-17(3)29(23(31)20(15)12-25)27-14-22(19-8-6-5-7-9-19)28-30-18(4)11-16(2)21(13-26)24(30)32/h5-11,14,27-28H,1-4H3/b22-14- |
| InChIKey |
BBBRZODPVYTKHQ-HMAPJEAMSA-N |
| Molecular Weight |
426.480 g/mol |
| SMILES |
C1(N(C(=CC(=C1C#N)C)C)N\C(=C/NN1C(C(C#N)=C(C=C1C)C)=O)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94564 |