| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(#Cc3ccccc3c1ccc2nc(ccc2c1)N)C(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)C#Cc1ccccc1c2ccc3nc(N)ccc3c2 |
| SMILES | CACTVS | 3.370 | CC(C)(C)C#Cc1ccccc1c2ccc3nc(N)ccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)(C)C#Cc1ccccc1c2ccc3c(c2)ccc(n3)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)(C)C#Cc1ccccc1c2ccc3c(c2)ccc(n3)N |
| InChI | InChI | 1.03 | InChI=1S/C21H20N2/c1-21(2,3)13-12-15-6-4-5-7-18(15)16-8-10-19-17(14-16)9-11-20(22)23-19/h4-11,14H,1-3H3,(H2,22,23) |
| InChIKey | InChI | 1.03 | IFUYBWIZKMAADM-UHFFFAOYSA-N |
