Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c5c(cn1C(c4ccc(O)c(C(=O)n2cc3c(c2)cc(cc3)OC)c4)=O)c(F)ccc5 |
InChI | InChI | 1.03 | InChI=1S/C25H17FN2O4/c1-32-19-7-5-16-11-27(13-18(16)9-19)25(31)20-10-15(6-8-23(20)29)24(30)28-12-17-3-2-4-22(26)21(17)14-28/h2-14,29H,1H3 |
InChIKey | InChI | 1.03 | CNJHIRFLYFXCOH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc5cccc(F)c5c4 |
SMILES | CACTVS | 3.385 | COc1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc5cccc(F)c5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc5cccc(c5c4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc5cccc(c5c4)F |