種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C22H20F2N2O2/c1-2-21(27)26-8-7-15(12-26)20-10-14-4-3-13(9-18(14)22(28)25-20)17-6-5-16(23)11-19(17)24/h3-6,9,11,15H,2,7-8,10,12H2,1H3/t15-/m1/s1 |
InChIKey | InChI | 1.03 | ZVHLLUCPMIPZMN-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(F)cc4F |
SMILES | CACTVS | 3.385 | CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(F)cc4F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(cc4F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCC(C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(cc4F)F |