Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc4cc(c1ccnc2N=CC(\c12)=C(\O)c3cccc(OC)c3)cc(F)c4 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cccc(c1)/C(O)=C/2C=Nc3nccc(c4cc(F)cc(F)c4)c/23 |
SMILES | CACTVS | 3.341 | COc1cccc(c1)C(O)=C2C=Nc3nccc(c4cc(F)cc(F)c4)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)/C(=C/2\C=Nc3c2c(ccn3)c4cc(cc(c4)F)F)/O |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)C(=C2C=Nc3c2c(ccn3)c4cc(cc(c4)F)F)O |
InChI | InChI | 1.03 | InChI=1S/C21H14F2N2O2/c1-27-16-4-2-3-12(9-16)20(26)18-11-25-21-19(18)17(5-6-24-21)13-7-14(22)10-15(23)8-13/h2-11,26H,1H3/b20-18- |
InChIKey | InChI | 1.03 | HQMUBYFTZASKLP-ZZEZOPTASA-N |