| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C1C=C(N=C(N1)CC(=O)Nc2ccccc2)N3CCOCC3 |
| InChI | InChI | 1.03 | InChI=1S/C16H18N4O3/c21-15(17-12-4-2-1-3-5-12)10-13-18-14(11-16(22)19-13)20-6-8-23-9-7-20/h1-5,11H,6-10H2,(H,17,21)(H,18,19,22) |
| InChIKey | InChI | 1.03 | FPFCFOIMTFHSNY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(CC1=NC(=CC(=O)N1)N2CCOCC2)Nc3ccccc3 |
| SMILES | CACTVS | 3.370 | O=C(CC1=NC(=CC(=O)N1)N2CCOCC2)Nc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3 |
