QCW
Summary
| Name: | ~{N}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide |
| Formula: | C14 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O2/c1-15-13(17)12-8-5-9-16(14(12)18)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,15,17) |
| InChIKey | InChI | 1.03 | FPNFBPWMDHIOEK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)C1=CC=CN(Cc2ccccc2)C1=O |
| SMILES | CACTVS | 3.385 | CNC(=O)C1=CC=CN(Cc2ccccc2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2 |
