種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)C(C)NC(=O)c1cc\2c(cc1)NC(=O)C/2=C/c1[NH]c(C)c(NC(=O)CCl)c1C |
InChI | InChI | 1.06 | InChI=1S/C26H24ClFN4O3/c1-13-22(29-15(3)24(13)32-23(33)12-27)11-20-19-10-17(6-9-21(19)31-26(20)35)25(34)30-14(2)16-4-7-18(28)8-5-16/h4-11,14,29H,12H2,1-3H3,(H,30,34)(H,31,35)(H,32,33)/b20-11-/t14-/m1/s1 |
InChIKey | InChI | 1.06 | IDWBLFLYQVHAFH-LPKQHDGYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)c1ccc2NC(=O)C(=C\c3[nH]c(C)c(NC(=O)CCl)c3C)/c2c1)c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)c1ccc2NC(=O)C(=Cc3[nH]c(C)c(NC(=O)CCl)c3C)c2c1)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c([nH]c(c1NC(=O)CCl)C)/C=C\2/c3cc(ccc3NC2=O)C(=O)N[C@H](C)c4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c([nH]c(c1NC(=O)CCl)C)C=C2c3cc(ccc3NC2=O)C(=O)NC(C)c4ccc(cc4)F |