5WT
Summary
| Name: | ~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)ethanamide |
| Formula: | C13 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 230.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2O2/c1-8-6-13(17)15(3)12-7-10(14-9(2)16)4-5-11(8)12/h4-7H,1-3H3,(H,14,16) |
| InChIKey | InChI | 1.03 | YAOZNWQIDDSLHQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C=C(C)c2ccc(NC(C)=O)cc12 |
| SMILES | CACTVS | 3.385 | CN1C(=O)C=C(C)c2ccc(NC(C)=O)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC1=CC(=O)N(c2c1ccc(c2)NC(=O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC1=CC(=O)N(c2c1ccc(c2)NC(=O)C)C |
