| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1 |
| InChIKey | InChI | 1.06 | WQTKNBPCJKRYPA-OAQYLSRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5 |
| SMILES | CACTVS | 3.385 | CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4cccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2C(C)N(Cc4cccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F |
