A1IBV
Summary
| Name: | 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one |
| Formula: | C17 H16 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 313.781 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[4-chloranyl-1-(phenylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H16ClN3O/c1-12-8-14(10-20(2)17(12)22)16-19-15(18)11-21(16)9-13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3 |
| InChIKey | InChI | 1.06 | NCQBXRVQMFGJAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(C=C(C)C1=O)c2nc(Cl)cn2Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | CN1C=C(C=C(C)C1=O)c2nc(Cl)cn2Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CN(C1=O)C)c2nc(cn2Cc3ccccc3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CN(C1=O)C)c2nc(cn2Cc3ccccc3)Cl |
