Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)C\C=C |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(c(O)c1)c2nn(CC=C)c3c2cccc3C(F)(F)F |
SMILES | CACTVS | 3.341 | Oc1ccc(c(O)c1)c2nn(CC=C)c3c2cccc3C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O |
InChI | InChI | 1.03 | InChI=1S/C17H13F3N2O2/c1-2-8-22-16-12(4-3-5-13(16)17(18,19)20)15(21-22)11-7-6-10(23)9-14(11)24/h2-7,9,23-24H,1,8H2 |
InChIKey | InChI | 1.03 | ZDUDMCQPFKPISO-UHFFFAOYSA-N |