| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc3ccc(Oc1cc2c(cc1)nc(c2C#N)N)cc3)C(N)CO |
| InChI | InChI | 1.03 | InChI=1S/C18H17N5O3/c19-8-14-13-7-12(5-6-16(13)23-17(14)21)26-11-3-1-10(2-4-11)22-18(25)15(20)9-24/h1-7,15,23-24H,9,20-21H2,(H,22,25)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | COLOVWUHIINYEF-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CO)C(=O)Nc1ccc(Oc2ccc3[nH]c(N)c(C#N)c3c2)cc1 |
| SMILES | CACTVS | 3.385 | N[CH](CO)C(=O)Nc1ccc(Oc2ccc3[nH]c(N)c(C#N)c3c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1NC(=O)[C@H](CO)N)Oc2ccc3c(c2)c(c([nH]3)N)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1NC(=O)C(CO)N)Oc2ccc3c(c2)c(c([nH]3)N)C#N |
