Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c5c2c(n(c(c1ccc(cc1)Cl)n2)C(C3CCCCO3)C(=O)NC4CCCCC4)cc(Cl)c5F |
InChI | InChI | 1.03 | InChI=1S/C26H28Cl2FN3O2/c27-17-11-9-16(10-12-17)25-31-21-15-20(29)19(28)14-22(21)32(25)24(23-8-4-5-13-34-23)26(33)30-18-6-2-1-3-7-18/h9-12,14-15,18,23-24H,1-8,13H2,(H,30,33)/t23-,24-/m0/s1 |
InChIKey | InChI | 1.03 | GSCSJUCYZMUKCP-ZEQRLZLVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc2nc(n([C@@H]([C@@H]3CCCCO3)C(=O)NC4CCCCC4)c2cc1Cl)c5ccc(Cl)cc5 |
SMILES | CACTVS | 3.385 | Fc1cc2nc(n([CH]([CH]3CCCCO3)C(=O)NC4CCCCC4)c2cc1Cl)c5ccc(Cl)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2nc3cc(c(cc3n2[C@@H]([C@@H]4CCCCO4)C(=O)NC5CCCCC5)Cl)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2nc3cc(c(cc3n2C(C4CCCCO4)C(=O)NC5CCCCC5)Cl)F)Cl |