Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)\C(=C\OC)c1ccccc1COc2nc3ccc(cc3nc2C(F)(F)F)C |
InChI | InChI | 1.03 | InChI=1S/C22H19F3N2O4/c1-13-8-9-17-18(10-13)26-19(22(23,24)25)20(27-17)31-11-14-6-4-5-7-15(14)16(12-29-2)21(28)30-3/h4-10,12H,11H2,1-3H3/b16-12+ |
InChIKey | InChI | 1.03 | GJLNLJPTCNQCFH-FOWTUZBSSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CO\C=C(\C(=O)OC)c1ccccc1COc2nc3ccc(C)cc3nc2C(F)(F)F |
SMILES | CACTVS | 3.370 | COC=C(C(=O)OC)c1ccccc1COc2nc3ccc(C)cc3nc2C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccc2c(c1)nc(c(n2)OCc3ccccc3/C(=C\OC)/C(=O)OC)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccc2c(c1)nc(c(n2)OCc3ccccc3C(=COC)C(=O)OC)C(F)(F)F |