A1EVR
Summary
| Name: | 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,3-dienamide |
| Formula: | C15 H16 F3 N O |
| Formal charge: | 0 |
| Formula weight: | 283.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,3-dienamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H16F3NO/c1-10(2)3-6-12(14(19)20)9-11-4-7-13(8-5-11)15(16,17)18/h3-5,7-8,10H,9H2,1-2H3,(H2,19,20) |
| InChIKey | InChI | 1.06 | UNQOTINGPYEXSA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[CH]=[C@]=[C](Cc1ccc(cc1)C(F)(F)F)C(N)=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH]=[C]=[C](Cc1ccc(cc1)C(F)(F)F)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C=C=C(Cc1ccc(cc1)C(F)(F)F)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C=C=C(Cc1ccc(cc1)C(F)(F)F)C(=O)N |
