SpectraBase Spectrum ID |
LqtzVY1vQeo |
Name |
Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-4-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,4-dihydro-3-methyl- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
426.065031169 u |
Formula |
C21H16Cl2N4O2 |
InChI |
InChI=1S/C21H16Cl2N4O2/c1-11-18-19(14(9-24)20(25)29-21(18)27-26-11)12-4-2-5-13(8-12)28-10-15-16(22)6-3-7-17(15)23/h2-8,19H,10,25H2,1H3,(H,26,27) |
InChIKey |
OCNBSJGIOCZIJY-UHFFFAOYSA-N |
Molecular Weight |
427.291 g/mol |
SMILES |
NC1=C(C(C2=C(O1)NN=C2C)C1=CC(OCC2=C(Cl)C=CC=C2Cl)=CC=C1)C#N |