A1JEA
Summary
| Name: | 1-cyclobutylisoquinoline |
| Formula: | C13 H13 N |
| Formal charge: | 0 |
| Formula weight: | 183.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-cyclobutylisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H13N/c1-2-7-12-10(4-1)8-9-14-13(12)11-5-3-6-11/h1-2,4,7-9,11H,3,5-6H2 |
| InChIKey | InChI | 1.06 | RIFUYXSWZIIMFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC(C1)c2nccc3ccccc23 |
| SMILES | CACTVS | 3.385 | C1CC(C1)c2nccc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ccnc2C3CCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ccnc2C3CCC3 |
