PDB CCD ID: | 1GT |
Number of entries in BioLiP: | 2 |
Chemical formula: | C18 H15 F3 N2 O2 |
InChI: | InChI=1S/C18H15F3N2O2/c1-2-3-9-23-17-13(5-4-6-14(17)18(19,20)21)16(22-23)12-8-7-11(24)10-15(12)25/h2,4-8,10,24-25H,1,3,9H2 |
InChIKey: | WNFWHTBNIWQRLE-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | C=CCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O | CACTVS 3.370 | Oc1ccc(c(O)c1)c2nn(CCC=C)c3c2cccc3C(F)(F)F | ACDLabs 12.01 | FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)CC\C=C |
|
Name: | 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol |