KJO
Summary
| Name: | N-phenyl-2-(pyridin-3-yl)prop-2-enamide |
| Formula: | C14 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 224.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-phenyl-2-(pyridin-3-yl)prop-2-enamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-phenyl-2-pyridin-3-yl-prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccccc1)C(=C)c1cccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H12N2O/c1-11(12-6-5-9-15-10-12)14(17)16-13-7-3-2-4-8-13/h2-10H,1H2,(H,16,17) |
| InChIKey | InChI | 1.06 | SAMABBIQJZLRPK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C=C(C(=O)Nc1ccccc1)c2cccnc2 |
| SMILES | CACTVS | 3.385 | C=C(C(=O)Nc1ccccc1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=C(c1cccnc1)C(=O)Nc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=C(c1cccnc1)C(=O)Nc2ccccc2 |
