RMM
Summary
| Name: | (2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide |
| Formula: | C13 H10 N4 O |
| Formal charge: | 0 |
| Formula weight: | 238.245 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide |
| OpenEye OEToolkits | 1.7.6 | (E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#C/C(C(=O)N)=C\c1cccc(c1)c2cnnc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H10N4O/c14-6-11(13(15)18)5-9-2-1-3-10(4-9)12-7-16-17-8-12/h1-5,7-8H,(H2,15,18)(H,16,17)/b11-5+ |
| InChIKey | InChI | 1.03 | YCZXMEXRJXFIIS-VZUCSPMQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)C(=C/c1cccc(c1)c2c[nH]nc2)/C#N |
| SMILES | CACTVS | 3.385 | NC(=O)C(=Cc1cccc(c1)c2c[nH]nc2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)c2c[nH]nc2)/C=C(\C#N)/C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)c2c[nH]nc2)C=C(C#N)C(=O)N |
