| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C28H28N6O2/c1-17(2)26(35)31-28-30-25-15-21(12-13-34(25)32-28)20-10-11-24-22(14-20)23(16-33(24)4)27(36)29-18(3)19-8-6-5-7-9-19/h5-18H,1-4H3,(H,29,36)(H,31,32,35)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | XYAYQAFPZOGMAA-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)Nc1nn2ccc(cc2n1)c3ccc4n(C)cc(C(=O)N[C@@H](C)c5ccccc5)c4c3 |
| SMILES | CACTVS | 3.385 | CC(C)C(=O)Nc1nn2ccc(cc2n1)c3ccc4n(C)cc(C(=O)N[CH](C)c5ccccc5)c4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)NC(=O)c2cn(c3c2cc(cc3)c4ccn5c(c4)nc(n5)NC(=O)C(C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(=O)Nc1nc2cc(ccn2n1)c3ccc4c(c3)c(cn4C)C(=O)NC(C)c5ccccc5 |
