2ZI
Summary
| Name: | 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one |
| Formula: | C16 H11 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 304.267 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H11F3N2O/c1-9-3-2-4-12-13(9)20-14(21-15(12)22)10-5-7-11(8-6-10)16(17,18)19/h2-8H,1H3,(H,20,21,22) |
| InChIKey | InChI | 1.03 | GDPZGQDEZJRADO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F |
