V3K
Summary
| Name: | 4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide |
| Formula: | C13 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 243.261 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O2/c1-16-8-11(7-15-16)6-14-13(18)12-4-2-10(9-17)3-5-12/h2-5,7-9H,6H2,1H3,(H,14,18) |
| InChIKey | InChI | 1.03 | OAHCODILUFYPHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(CNC(=O)c2ccc(C=O)cc2)cn1 |
| SMILES | CACTVS | 3.385 | Cn1cc(CNC(=O)c2ccc(C=O)cc2)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)CNC(=O)c2ccc(cc2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)CNC(=O)c2ccc(cc2)C=O |
