Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)Cc4ccccc4 |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(c(O)c1)c2nn(Cc3ccccc3)c4c2cccc4C(F)(F)F |
SMILES | CACTVS | 3.370 | Oc1ccc(c(O)c1)c2nn(Cc3ccccc3)c4c2cccc4C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O |
InChI | InChI | 1.03 | InChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-4-7-16-19(15-10-9-14(27)11-18(15)28)25-26(20(16)17)12-13-5-2-1-3-6-13/h1-11,27-28H,12H2 |
InChIKey | InChI | 1.03 | LXPUCQLYLWGFLV-UHFFFAOYSA-N |