5GT
Summary
| Name: | 7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one |
| Formula: | C9 H7 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 216.16 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one |
| OpenEye OEToolkits | 1.9.2 | 7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc2c(c1)NC(CN2)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3,13H,4H2,(H,14,15) |
| InChIKey | InChI | 1.03 | DYBIQELZTJXUKA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccc2NCC(=O)Nc2c1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccc2NCC(=O)Nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1C(F)(F)F)NC(=O)CN2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1C(F)(F)F)NC(=O)CN2 |
