| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C)C(=O)Nc1cc(C#N)ccc1COC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C27H29N7O4/c1-27(2,3)25(36)29-22-8-16(10-28)4-5-18(22)15-38-26(37)34-13-19-11-33(12-20(19)14-34)24(35)17-6-7-21-23(9-17)31-32-30-21/h4-9,19-20H,11-15H2,1-3H3,(H,29,36)(H,30,31,32) |
| InChIKey | InChI | 1.06 | KVEPWXPZENHUEG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C(=O)Nc1cc(ccc1COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c4ccc5[nH]nnc5c4)C#N |
| SMILES | CACTVS | 3.385 | CC(C)(C)C(=O)Nc1cc(ccc1COC(=O)N2C[CH]3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)Nc1cc(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 | CC(C)(C)C(=O)Nc1cc(ccc1COC(=O)N2CC3CN(CC3C2)C(=O)c4ccc5c(c4)nn[nH]5)C#N |
