A1AXN
Summary
| Name: | (3M)-3-(1H-imidazol-1-yl)benzonitrile |
| Formula: | C10 H7 N3 |
| Formal charge: | 0 |
| Formula weight: | 169.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3M)-3-(1H-imidazol-1-yl)benzonitrile |
| OpenEye OEToolkits | 2.0.7 | 3-imidazol-1-ylbenzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1cccc(c1)n1ccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H7N3/c11-7-9-2-1-3-10(6-9)13-5-4-12-8-13/h1-6,8H |
| InChIKey | InChI | 1.06 | WTSYEEOMLMUPSN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1cccc(c1)n2ccnc2 |
| SMILES | CACTVS | 3.385 | N#Cc1cccc(c1)n2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)n2ccnc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)n2ccnc2)C#N |
