Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C28H27Cl2N5O3/c1-15(2)34-24-22(32-25(34)21-14-31-28(38-5)33-26(21)37-4)27(36)35(16(3)18-7-6-8-20(30)13-18)23(24)17-9-11-19(29)12-10-17/h6-16,23H,1-5H3/t16-,23-/m0/s1 |
InChIKey | InChI | 1.03 | PYBJKPRTJDONOS-HJPURHCSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(c(OC)n1)c2nc3C(=O)N([C@@H](C)c4cccc(Cl)c4)[C@@H](c5ccc(Cl)cc5)c3n2C(C)C |
SMILES | CACTVS | 3.385 | COc1ncc(c(OC)n1)c2nc3C(=O)N([CH](C)c4cccc(Cl)c4)[CH](c5ccc(Cl)cc5)c3n2C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1cccc(c1)Cl)N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)n1c2c(nc1c3cnc(nc3OC)OC)C(=O)N(C2c4ccc(cc4)Cl)C(C)c5cccc(c5)Cl |