種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c3(C(=O)n1cc2c(c1)ccc(c2)F)c(O)ccc(c3)C(n4cc5c(c4)c(ccc5)F)=O |
InChI | InChI | 1.03 | InChI=1S/C24H14F2N2O3/c25-18-6-4-15-10-27(12-17(15)8-18)24(31)19-9-14(5-7-22(19)29)23(30)28-11-16-2-1-3-21(26)20(16)13-28/h1-13,29H |
InChIKey | InChI | 1.03 | NDSVVWMRIUKJHF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1C(=O)n2cc3ccc(F)cc3c2)C(=O)n4cc5cccc(F)c5c4 |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1C(=O)n2cc3ccc(F)cc3c2)C(=O)n4cc5cccc(F)c5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cn(cc2c(c1)F)C(=O)c3ccc(c(c3)C(=O)n4cc5ccc(cc5c4)F)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cn(cc2c(c1)F)C(=O)c3ccc(c(c3)C(=O)n4cc5ccc(cc5c4)F)O |