| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C5c4c1c6c(nc1c3c(c2ccccc2n3)c4CN5)cccc6 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1NCc2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25 |
| SMILES | CACTVS | 3.341 | O=C1NCc2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4 |
| InChI | InChI | 1.03 | InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24) |
| InChIKey | InChI | 1.03 | MEXUTNIFSHFQRG-UHFFFAOYSA-N |
