06R
Summary
| Name: | 2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one |
| Formula: | C15 H9 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 290.24 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h1-8H,(H,19,20,21) |
| InChIKey | InChI | 1.03 | LSKQRMBPLLMJRR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F |
