| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C30H27BrN4O3/c1-18(20-5-3-2-4-6-20)35-26-12-9-21(30(36)33-22-10-7-19(16-32)8-11-22)13-25(26)34-29(35)23-14-27-28(15-24(23)31)38-17-37-27/h7-15,18,20H,2-6,17H2,1H3,(H,33,36)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | FJAOGFGHTPYADT-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C1CCCCC1)n2c3ccc(cc3nc2c4cc5OCOc5cc4Br)C(=O)Nc6ccc(cc6)C#N |
| SMILES | CACTVS | 3.385 | C[CH](C1CCCCC1)n2c3ccc(cc3nc2c4cc5OCOc5cc4Br)C(=O)Nc6ccc(cc6)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](C1CCCCC1)n2c3ccc(cc3nc2c4cc5c(cc4Br)OCO5)C(=O)Nc6ccc(cc6)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C1CCCCC1)n2c3ccc(cc3nc2c4cc5c(cc4Br)OCO5)C(=O)Nc6ccc(cc6)C#N |
