A1IB5
Summary
| Name: | 5-[4-chloranyl-1-(oxan-4-ylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one |
| Formula: | C16 H20 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 321.802 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[4-chloranyl-1-(oxan-4-ylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H20ClN3O2/c1-11-7-13(9-19(2)16(11)21)15-18-14(17)10-20(15)8-12-3-5-22-6-4-12/h7,9-10,12H,3-6,8H2,1-2H3 |
| InChIKey | InChI | 1.06 | UEHOXEWBUJAXSW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(C=C(C)C1=O)c2nc(Cl)cn2CC3CCOCC3 |
| SMILES | CACTVS | 3.385 | CN1C=C(C=C(C)C1=O)c2nc(Cl)cn2CC3CCOCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CN(C1=O)C)c2nc(cn2CC3CCOCC3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CN(C1=O)C)c2nc(cn2CC3CCOCC3)Cl |
