EW5
Summary
| Name: | 1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide |
| Formula: | C21 H17 N5 O |
| Formal charge: | 0 |
| Formula weight: | 355.393 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H17N5O/c27-21(24-14-16-6-10-22-11-7-16)19-15-26(18-4-2-1-3-5-18)25-20(19)17-8-12-23-13-9-17/h1-13,15H,14H2,(H,24,27) |
| InChIKey | InChI | 1.03 | IOZGCMLGYOLKER-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccncc1)c2cn(nc2c3ccncc3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | O=C(NCc1ccncc1)c2cn(nc2c3ccncc3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4 |
