| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NCCNc1ccccc1)C1=CC(=O)Nc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C18H17N3O2/c22-17-12-15(14-8-4-5-9-16(14)21-17)18(23)20-11-10-19-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H,20,23)(H,21,22) |
| InChIKey | InChI | 1.06 | FTMBCXQGAOJUAX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2ccccc2C(=C1)C(=O)NCCNc3ccccc3 |
| SMILES | CACTVS | 3.385 | O=C1Nc2ccccc2C(=C1)C(=O)NCCNc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NCCNC(=O)C2=CC(=O)Nc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NCCNC(=O)C2=CC(=O)Nc3c2cccc3 |
