| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc5ccc(c1sc(cc1)C42NC(=[N@H])N(C(=O)C2CN(c3ccccc3)C4)C)cc5C#N |
| InChI | InChI | 1.03 | InChI=1S/C24H20FN5OS/c1-29-22(31)18-13-30(17-5-3-2-4-6-17)14-24(18,28-23(29)27)21-10-9-20(32-21)15-7-8-19(25)16(11-15)12-26/h2-11,18H,13-14H2,1H3,(H2,27,28)/t18-,24-/m0/s1 |
| InChIKey | InChI | 1.03 | DWVJKKOFIHHAKC-UUOWRZLLSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=N)N[C@]2(CN(C[C@H]2C1=O)c3ccccc3)c4sc(cc4)c5ccc(F)c(c5)C#N |
| SMILES | CACTVS | 3.370 | CN1C(=N)N[C]2(CN(C[CH]2C1=O)c3ccccc3)c4sc(cc4)c5ccc(F)c(c5)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ccccc3)c4ccc(s4)c5ccc(c(c5)C#N)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1C(=O)C2CN(CC2(NC1=N)c3ccc(s3)c4ccc(c(c4)C#N)F)c5ccccc5 |
