3KB
5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one
Find entries where: 3KB
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one |
Identifiers | 5-methoxy-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one |
Formula | C21 H15 F3 N4 O2 |
Molecular Weight | 412.365 |
Type | NON-POLYMER |
Isomeric SMILES | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F |
InChI | InChI=1S/C21H15F3N4O2/c1-30-18-13-27(16-9-5-6-14(12-16)21(22,23)24)26-19(20(18)29)17-10-11-25-28(17)15-7-3-2-4-8-15/h2-13H,1H3 |
InChIKey | GZYJHHIEGNWBCR-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 45 |
Chiral Atom Count | 0 |
Bond Count | 48 |
Aromatic Bond Count | 17 |
Related Resource References
Resource Name | Reference |
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PubChem | 59436195 |