| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c2nnc1ccccc12)Nc4ccc(N3CCN(C)CC3)cc4 |
| InChI | InChI | 1.03 | InChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)20-19(25)18-16-4-2-3-5-17(16)21-22-18/h2-9H,10-13H2,1H3,(H,20,25)(H,21,22) |
| InChIKey | InChI | 1.03 | NZDNAXLFPOOOJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[nH]n3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[nH]n3 |
