SpectraBase Spectrum ID |
7WLRTtwFjLw |
Name |
Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-4-(2-bromophenyl)-1,4-dihydro-3-(3,4,5-trimethoxyphenyl)- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
482.058968104 u |
Formula |
C22H19BrN4O4 |
InChI |
InChI=1S/C22H19BrN4O4/c1-28-15-8-11(9-16(29-2)20(15)30-3)19-18-17(12-6-4-5-7-14(12)23)13(10-24)21(25)31-22(18)27-26-19/h4-9,17H,25H2,1-3H3,(H,26,27) |
InChIKey |
HPKDUETYLUEMAJ-UHFFFAOYSA-N |
Molecular Weight |
483.322 g/mol |
SMILES |
NC1=C(C(C2=C(O1)NN=C2C1=CC(OC)=C(C(=C1)OC)OC)C=1C(Br)=CC=CC1)C#N |