LK8
Summary
| Name: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide |
| Formula: | C25 H22 Cl2 F3 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 540.362 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H22Cl2F3N3O3/c1-13-11-17(25(28,29)30)14-5-3-7-20(22(14)32-13)36-12-16-18(26)9-8-15(21(16)27)24(35)33-10-4-6-19(33)23(34)31-2/h3,5,7-9,11,19H,4,6,10,12H2,1-2H3,(H,31,34)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | SGDYSAAUPQPUSM-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)[C@@H]1CCCN1C(=O)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)C(F)(F)F)c2Cl |
| SMILES | CACTVS | 3.385 | CNC(=O)[CH]1CCCN1C(=O)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)C(F)(F)F)c2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2cccc(c2n1)OCc3c(ccc(c3Cl)C(=O)N4CCC[C@H]4C(=O)NC)Cl)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2cccc(c2n1)OCc3c(ccc(c3Cl)C(=O)N4CCCC4C(=O)NC)Cl)C(F)(F)F |
