| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C26H20F3N7O/c1-15-8-9-19(32-25(37)16-5-3-7-18(11-16)26(27,28)29)12-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-6-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35) |
| InChIKey | InChI | 1.06 | QPABVIZUHZJQCR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc(nc12)c5cccnc5 |
| SMILES | CACTVS | 3.385 | Cn1ncc2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc(nc12)c5cccnc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)NC(=O)c5cccc(c5)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)NC(=O)c5cccc(c5)C(F)(F)F |
