| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(ccc(cc1)CN3C(=O)c2ccccc2C3=O)NC(=O)NCc4cnccc4 |
| InChI | InChI | 1.03 | InChI=1S/C22H18N4O3/c27-20-18-5-1-2-6-19(18)21(28)26(20)14-15-7-9-17(10-8-15)25-22(29)24-13-16-4-3-11-23-12-16/h1-12H,13-14H2,(H2,24,25,29) |
| InChIKey | InChI | 1.03 | KKBVILNJYCRNQY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1cccnc1)Nc2ccc(CN3C(=O)c4ccccc4C3=O)cc2 |
| SMILES | CACTVS | 3.385 | O=C(NCc1cccnc1)Nc2ccc(CN3C(=O)c4ccccc4C3=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)NCc4cccnc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)NCc4cccnc4 |
