A1IBA
Summary
| Name: | N-(4-quinazolin-4-ylphenyl)propanamide |
| Formula: | C17 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 277.321 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-quinazolin-4-ylphenyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H15N3O/c1-2-16(21)20-13-9-7-12(8-10-13)17-14-5-3-4-6-15(14)18-11-19-17/h3-11H,2H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.06 | MUOSBHKCWDCAKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1ccc(cc1)c2ncnc3ccccc23 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccc(cc1)c2ncnc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc(cc1)c2c3ccccc3ncn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc(cc1)c2c3ccccc3ncn2 |
