A1EKU
Summary
| Name: | ~{N}-[(1~{S},2~{S})-2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide |
| Synonyms: | Cyclobutrifluram, (S)- |
| Formula: | C17 H13 Cl2 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 389.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{S},2~{S})-2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H13Cl2F3N2O/c18-9-3-4-10(13(19)8-9)11-5-6-14(11)24-16(25)12-2-1-7-23-15(12)17(20,21)22/h1-4,7-8,11,14H,5-6H2,(H,24,25)/t11-,14-/m0/s1 |
| InChIKey | InChI | 1.06 | GBFKIHJZPMECCF-FZMZJTMJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ncccc1C(=O)N[C@H]2CC[C@H]2c3ccc(Cl)cc3Cl |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ncccc1C(=O)N[CH]2CC[CH]2c3ccc(Cl)cc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)C(F)(F)F)C(=O)N[C@H]2CC[C@H]2c3ccc(cc3Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)C(F)(F)F)C(=O)NC2CCC2c3ccc(cc3Cl)Cl |
