| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NO)C(c1ccc(cc1)n2nccc2)NC(=O)c3cccc(N)c3 |
| InChI | InChI | 1.03 | InChI=1S/C18H17N5O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | MDRSEUSHAKMGJK-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(c1)C(=O)N[C@@H](C(=O)NO)c2ccc(cc2)n3cccn3 |
| SMILES | CACTVS | 3.385 | Nc1cccc(c1)C(=O)N[CH](C(=O)NO)c2ccc(cc2)n3cccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)N)C(=O)NC(c2ccc(cc2)n3cccn3)C(=O)NO |
