| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NCCN)C(NC(=O)c1ccccc1)Cc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C18H21N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,23)(H,21,22)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | WNPRWIUDHVJPCD-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | NCCNC(=O)[CH](Cc1ccccc1)NC(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C[C@@H](C(=O)NCCN)NC(=O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC(C(=O)NCCN)NC(=O)c2ccccc2 |
