種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C19H20F3N5O2/c1-10-11(2)27-16(15(8-23-27)25-5-3-4-17(25)28)9-26(10)19(29)24-12-6-13(20)18(22)14(21)7-12/h6-8,10-11H,3-5,9H2,1-2H3,(H,24,29) |
InChIKey | InChI | 1.06 | SUOFMBIUXLAFSN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1[C@@H](C)n2ncc(N3CCCC3=O)c2CN1C(=O)Nc4cc(F)c(F)c(F)c4 |
SMILES | CACTVS | 3.385 | C[CH]1[CH](C)n2ncc(N3CCCC3=O)c2CN1C(=O)Nc4cc(F)c(F)c(F)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1[C@@H](N(Cc2n1ncc2N3CCCC3=O)C(=O)Nc4cc(c(c(c4)F)F)F)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(N(Cc2n1ncc2N3CCCC3=O)C(=O)Nc4cc(c(c(c4)F)F)F)C |