| 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)c3ccc(N)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H17N5O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | XHKYHEBAKPKAIX-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)C(=O)N[C@@H](C(=O)NO)c2ccc(cc2)n3cccn3 |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)C(=O)N[CH](C(=O)NO)c2ccc(cc2)n3cccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cnn(c1)c2ccc(cc2)[C@H](C(=O)NO)NC(=O)c3ccc(cc3)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cnn(c1)c2ccc(cc2)C(C(=O)NO)NC(=O)c3ccc(cc3)N |
