F36
Summary
| Name: | 2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one |
| Formula: | C16 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 264.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-acetylphenyl)quinazolin-4(3H)-one |
| OpenEye OEToolkits | 1.9.2 | 2-(4-ethanoylphenyl)-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3)C |
| InChI | InChI | 1.03 | InChI=1S/C16H12N2O2/c1-10(19)11-6-8-12(9-7-11)15-17-14-5-3-2-4-13(14)16(20)18-15/h2-9H,1H3,(H,17,18,20) |
| InChIKey | InChI | 1.03 | VLRQJLLWRMXGLP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
