| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H14FN5O3/c1-25-9-7-20(29,19(25)28)6-4-12-5-8-23-16(10-12)26-15-3-2-13(21)11-14(15)17(24-26)18(22)27/h2-3,5,7-11,29H,1H3,(H2,22,27)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | ZZMZSZVGWQGKCR-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C[C@@](O)(C#Cc2ccnc(c2)n3nc(C(N)=O)c4cc(F)ccc34)C1=O |
| SMILES | CACTVS | 3.385 | CN1C=C[C](O)(C#Cc2ccnc(c2)n3nc(C(N)=O)c4cc(F)ccc34)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=C[C@](C1=O)(C#Cc2ccnc(c2)n3c4ccc(cc4c(n3)C(=O)N)F)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=CC(C1=O)(C#Cc2ccnc(c2)n3c4ccc(cc4c(n3)C(=O)N)F)O |
