Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc2c(cc1)cncc2N1CCC2(CN(CC(=O)NC)C(=O)c3ccc(Cl)cc32)C1=O |
InChI | InChI | 1.06 | InChI=1S/C24H20Cl2N4O3/c1-27-21(31)12-29-13-24(19-9-16(26)4-5-17(19)22(29)32)6-7-30(23(24)33)20-11-28-10-14-2-3-15(25)8-18(14)20/h2-5,8-11H,6-7,12-13H2,1H3,(H,27,31)/t24-/m1/s1 |
InChIKey | InChI | 1.06 | JZJCSVMJFIAMQB-XMMPIXPASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4ccc(Cl)cc34)c5cc(Cl)ccc5C1=O |
SMILES | CACTVS | 3.385 | CNC(=O)CN1C[C]2(CCN(C2=O)c3cncc4ccc(Cl)cc34)c5cc(Cl)ccc5C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl |