| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | N#Cc4cc1c(nc2c1CC(=O)Nc3ccccc23)cc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1Cc2c([nH]c3ccc(cc23)C#N)c4ccccc4N1 |
| SMILES | CACTVS | 3.341 | O=C1Cc2c([nH]c3ccc(cc23)C#N)c4ccccc4N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C17H11N3O/c18-9-10-5-6-15-12(7-10)13-8-16(21)19-14-4-2-1-3-11(14)17(13)20-15/h1-7,20H,8H2,(H,19,21) |
| InChIKey | InChI | 1.03 | LBVIZFWUIQSZHP-UHFFFAOYSA-N |
