UTJ
Summary
| Name: | [4-(isoquinolin-8-yl)phenyl]acetonitrile |
| Formula: | C17 H12 N2 |
| Formal charge: | 0 |
| Formula weight: | 244.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [4-(isoquinolin-8-yl)phenyl]acetonitrile |
| OpenEye OEToolkits | 2.0.7 | 2-(4-isoquinolin-8-ylphenyl)ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2cc3c(c1ccc(cc1)CC#N)cccc3cc2 |
| InChI | InChI | 1.03 | InChI=1S/C17H12N2/c18-10-8-13-4-6-15(7-5-13)16-3-1-2-14-9-11-19-12-17(14)16/h1-7,9,11-12H,8H2 |
| InChIKey | InChI | 1.03 | VIKXCGPZKMDDCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#CCc1ccc(cc1)c2cccc3ccncc23 |
| SMILES | CACTVS | 3.385 | N#CCc1ccc(cc1)c2cccc3ccncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2ccncc2c(c1)c3ccc(cc3)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2ccncc2c(c1)c3ccc(cc3)CC#N |
