種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C18H12ClF3N4O/c19-15-8-9-16(26-25-15)23-13-4-6-14(7-5-13)24-17(27)11-2-1-3-12(10-11)18(20,21)22/h1-10H,(H,23,26)(H,24,27) |
InChIKey | InChI | 1.03 | JJDWUVWXLMWVFS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(Nc3ccc(Cl)nn3)cc2 |
SMILES | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(Nc3ccc(Cl)nn3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)C(=O)Nc2ccc(cc2)Nc3ccc(nn3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)C(=O)Nc2ccc(cc2)Nc3ccc(nn3)Cl |