種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C23H19FN4O5/c1-12(29)28-11-18(17-8-15(33-3)4-5-20(17)28)22(30)26-19-7-13(23(31)32)6-16(21(19)24)14-9-25-27(2)10-14/h4-11H,1-3H3,(H,26,30)(H,31,32) |
InChIKey | InChI | 1.03 | RCPJEOKKJODBRQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2n(cc(C(=O)Nc3cc(cc(c3F)c4cnn(C)c4)C(O)=O)c2c1)C(C)=O |
SMILES | CACTVS | 3.385 | COc1ccc2n(cc(C(=O)Nc3cc(cc(c3F)c4cnn(C)c4)C(O)=O)c2c1)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)n1cc(c2c1ccc(c2)OC)C(=O)Nc3cc(cc(c3F)c4cnn(c4)C)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)n1cc(c2c1ccc(c2)OC)C(=O)Nc3cc(cc(c3F)c4cnn(c4)C)C(=O)O |