Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(C)CC(COc5ccc(Nc4ncc1c(N(C(C(N1)=O)=O)c3cc2CCCc2cc3)n4)cc5)O |
InChI | InChI | 1.03 | InChI=1S/C26H28N6O4/c1-31(2)14-20(33)15-36-21-10-7-18(8-11-21)28-26-27-13-22-23(30-26)32(25(35)24(34)29-22)19-9-6-16-4-3-5-17(16)12-19/h6-13,20,33H,3-5,14-15H2,1-2H3,(H,29,34)(H,27,28,30)/t20-/m0/s1 |
InChIKey | InChI | 1.03 | FIEBLYFIDPTHGZ-FQEVSTJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C[C@H](O)COc1ccc(Nc2ncc3NC(=O)C(=O)N(c4ccc5CCCc5c4)c3n2)cc1 |
SMILES | CACTVS | 3.385 | CN(C)C[CH](O)COc1ccc(Nc2ncc3NC(=O)C(=O)N(c4ccc5CCCc5c4)c3n2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=O)N3)c4ccc5c(c4)CCC5)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)CC(COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=O)N3)c4ccc5c(c4)CCC5)O |