5TU
Summary
| Name: | 4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide |
| Formula: | C14 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O2/c1-9-7-12(8-16(2)14(9)18)10-3-5-11(6-4-10)13(15)17/h3-8H,1-2H3,(H2,15,17) |
| InChIKey | InChI | 1.03 | LCFYRSDVZKRXGW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(C=C(C)C1=O)c2ccc(cc2)C(N)=O |
| SMILES | CACTVS | 3.385 | CN1C=C(C=C(C)C1=O)c2ccc(cc2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC1=CC(=CN(C1=O)C)c2ccc(cc2)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC1=CC(=CN(C1=O)C)c2ccc(cc2)C(=O)N |
