5W4
Summary
| Name: | (3~{S})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{H}-isoindol-1-one |
| Formula: | C20 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 318.369 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (3~{S})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{H}-isoindol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H18N2O2/c1-12-18(13(2)24-21-12)15-9-10-16-17(11-15)19(22(3)20(16)23)14-7-5-4-6-8-14/h4-11,19H,1-3H3/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | CHAKVDDAHQGTLR-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@@H](c2ccccc2)c3cc(ccc3C1=O)c4c(C)onc4C |
| SMILES | CACTVS | 3.385 | CN1[CH](c2ccccc2)c3cc(ccc3C1=O)c4c(C)onc4C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C3=O)C)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c(c(on1)C)c2ccc3c(c2)C(N(C3=O)C)c4ccccc4 |
