9B2
Summary
| Name: | 2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one |
| Formula: | C19 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 305.374 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H19N3O/c23-19-16-6-2-3-7-17(16)20-18(21-19)14-8-10-15(11-9-14)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-13H2,(H,20,21,23) |
| InChIKey | InChI | 1.03 | CVOACSZXXZBJFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCCCC4 |
| SMILES | CACTVS | 3.385 | O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4 |
