SpectraBase Spectrum ID |
CUx3BNAKR0q |
Name |
4H-Indazol-4-one, 1-(4,6-dimethyl-2-pyrimidinyl)-1,5,6,7-tetrahydro-6-(3,4,5-trimethoxyphenyl)- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
408.179755265 u |
Formula |
C22H24N4O4 |
InChI |
InChI=1S/C22H24N4O4/c1-12-6-13(2)25-22(24-12)26-17-7-14(8-18(27)16(17)11-23-26)15-9-19(28-3)21(30-5)20(10-15)29-4/h6,9-11,14H,7-8H2,1-5H3 |
InChIKey |
ACTDZTUGWAZERR-UHFFFAOYSA-N |
Molecular Weight |
408.458 g/mol |
SMILES |
COC=1C=C(C2CC=3N(C4=NC(C)=CC(=N4)C)N=CC3C(=O)C2)C=C(C1OC)OC |