| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c3c(C(=O)N(C)C)cc(C1=CN(C)C(=O)c2c1ccn2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3 |
| InChIKey | InChI | 1.03 | YHMNROQTPUKNLA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)c1cccc(c1)C2=CN(C)C(=O)c3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)c1cccc(c1)C2=CN(C)C(=O)c3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C |
