A1L6V
Summary
| Name: | (~{E})-~{N}-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide |
| Formula: | C14 H15 F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 300.276 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-~{N}-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H15F3N2O2/c1-19(2)13(21)9-18-12(20)8-5-10-3-6-11(7-4-10)14(15,16)17/h3-8H,9H2,1-2H3,(H,18,20)/b8-5+ |
| InChIKey | InChI | 1.06 | NGZJOWYKBKCEMX-VMPITWQZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)CNC(=O)C=Cc1ccc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)CNC(=O)/C=C/c1ccc(cc1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)CNC(=O)C=Cc1ccc(cc1)C(F)(F)F |
