JOY
Summary
| Name: | 4-[(1H-pyrazol-1-yl)methyl]benzonitrile |
| Formula: | C11 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 183.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(1H-pyrazol-1-yl)methyl]benzonitrile |
| OpenEye OEToolkits | 2.0.6 | 4-(pyrazol-1-ylmethyl)benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cn(nc1)Cc2ccc(C#N)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H9N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,9H2 |
| InChIKey | InChI | 1.03 | FPZADNOIMZEBTC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccc(Cn2cccn2)cc1 |
| SMILES | CACTVS | 3.385 | N#Cc1ccc(Cn2cccn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnn(c1)Cc2ccc(cc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnn(c1)Cc2ccc(cc2)C#N |
