種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | FC(F)(F)CN(c2ccc1c(C(=CC(=O)N1)C(F)(F)F)c2)CC(F)(F)F |
SMILES_CANONICAL | CACTVS | 3.341 | FC(F)(F)CN(CC(F)(F)F)c1ccc2NC(=O)C=C(c2c1)C(F)(F)F |
SMILES | CACTVS | 3.341 | FC(F)(F)CN(CC(F)(F)F)c1ccc2NC(=O)C=C(c2c1)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26) |
InChIKey | InChI | 1.03 | ULBPQWIGZUGPHU-UHFFFAOYSA-N |