W58
Summary
| Name: | 5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine |
| Formula: | C13 H15 N |
| Formal charge: | 0 |
| Formula weight: | 185.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H15N/c1-2-13(9-14-7-1)12-6-4-10-3-5-11(10)8-12/h2,4,6,8,14H,1,3,5,7,9H2 |
| InChIKey | InChI | 1.03 | MOJPEWKNYNURQQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC=C(CN1)c2ccc3CCc3c2 |
| SMILES | CACTVS | 3.385 | C1CC=C(CN1)c2ccc3CCc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C3=CCCNC3)CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C3=CCCNC3)CC2 |
