| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(Nc1cc(nn1)C2CC2)Cc4cc3ccccc3cc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C(Cc1ccc2ccccc2c1)Nc3[nH]nc(c3)C4CC4 |
| SMILES | CACTVS | 3.341 | O=C(Cc1ccc2ccccc2c1)Nc3[nH]nc(c3)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4 |
| InChI | InChI | 1.03 | InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22) |
| InChIKey | InChI | 1.03 | RIGZCVNCFXYBEG-UHFFFAOYSA-N |
