Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)C/C=C(/C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)=CCn1nc(c2ccc(O)cc2O)c3cccc(c13)C(F)(F)F |
SMILES | CACTVS | 3.370 | CC(C)=CCn1nc(c2ccc(O)cc2O)c3cccc(c13)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C |
InChI | InChI | 1.03 | InChI=1S/C19H17F3N2O2/c1-11(2)8-9-24-18-14(4-3-5-15(18)19(20,21)22)17(23-24)13-7-6-12(25)10-16(13)26/h3-8,10,25-26H,9H2,1-2H3 |
InChIKey | InChI | 1.03 | DFKXJYQQWHKKOK-UHFFFAOYSA-N |