A1KEH
Summary
| Name: | 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one |
| Formula: | C21 H24 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 364.441 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H24N4O2/c1-2-27-19-10-6-5-9-18(19)25-20(15-24-13-11-22-12-14-24)23-17-8-4-3-7-16(17)21(25)26/h3-10,22H,2,11-15H2,1H3 |
| InChIKey | InChI | 1.06 | OBWOSMGNXYUDFB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccccc1N2C(=O)c3ccccc3N=C2CN4CCNCC4 |
| SMILES | CACTVS | 3.385 | CCOc1ccccc1N2C(=O)c3ccccc3N=C2CN4CCNCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccccc1N2C(=Nc3ccccc3C2=O)CN4CCNCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccccc1N2C(=Nc3ccccc3C2=O)CN4CCNCC4 |
