Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C26H28ClFN4O2/c1-3-20-22(10-7-16(2)29-20)34-15-24(33)32-13-11-21-26(31-12-5-4-6-23(31)30-21)25(32)18-9-8-17(27)14-19(18)28/h7-10,14,25H,3-6,11-13,15H2,1-2H3/t25-/m0/s1 |
InChIKey | InChI | 1.06 | DWIGWIZFMAXRAR-VWLOTQADSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc(C)ccc1OCC(=O)N2CCc3nc4CCCCn4c3[C@@H]2c5ccc(Cl)cc5F |
SMILES | CACTVS | 3.385 | CCc1nc(C)ccc1OCC(=O)N2CCc3nc4CCCCn4c3[CH]2c5ccc(Cl)cc5F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(ccc(n1)C)OCC(=O)N2CCc3c(n4c(n3)CCCC4)[C@@H]2c5ccc(cc5F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(ccc(n1)C)OCC(=O)N2CCc3c(n4c(n3)CCCC4)C2c5ccc(cc5F)Cl |