| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1ccc(COC(=O)N2CC3CN(CC3C2)C(=O)c2cc3nn[NH]c3cc2)c(OCC)c1 |
| InChI | InChI | 1.06 | InChI=1S/C24H24N6O4/c1-2-33-22-7-15(9-25)3-4-17(22)14-34-24(32)30-12-18-10-29(11-19(18)13-30)23(31)16-5-6-20-21(8-16)27-28-26-20/h3-8,18-19H,2,10-14H2,1H3,(H,26,27,28) |
| InChIKey | InChI | 1.06 | SXYSIHXUTNMGIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cc(ccc1COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c4ccc5[nH]nnc5c4)C#N |
| SMILES | CACTVS | 3.385 | CCOc1cc(ccc1COC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cc(ccc1COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c4ccc5c(c4)nn[nH]5)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cc(ccc1COC(=O)N2CC3CN(CC3C2)C(=O)c4ccc5c(c4)nn[nH]5)C#N |
