| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NCC)c1cc(cc(C(=O)NCC)c1)C(=O)NCC |
| InChI | InChI | 1.03 | InChI=1S/C15H21N3O3/c1-4-16-13(19)10-7-11(14(20)17-5-2)9-12(8-10)15(21)18-6-3/h7-9H,4-6H2,1-3H3,(H,16,19)(H,17,20)(H,18,21) |
| InChIKey | InChI | 1.03 | OHEQFYRYAKNXEC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC |
| SMILES | CACTVS | 3.385 | CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC |
