| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccncc1)C(NC(=O)C2CCCCC2)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc2ccncc2 |
| SMILES | CACTVS | 3.341 | CC(C)[CH](NC(=O)C1CCCCC1)C(=O)Nc2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@H](C(=O)Nc1ccncc1)NC(=O)C2CCCCC2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(C(=O)Nc1ccncc1)NC(=O)C2CCCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | VYLDPSVXLWTIAJ-HNNXBMFYSA-N |
