| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C25H20N2O2/c1-17-11-13-22-21(15-17)26-24(27(22)19-7-3-2-4-8-19)14-12-18-16-29-23-10-6-5-9-20(23)25(18)28/h2-11,13,15-16H,12,14H2,1H3 |
| InChIKey | InChI | 1.03 | HMWKWNLDAUQIGF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2n(c(CCC3=COc4ccccc4C3=O)nc2c1)c5ccccc5 |
| SMILES | CACTVS | 3.385 | Cc1ccc2n(c(CCC3=COc4ccccc4C3=O)nc2c1)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O |
