6NJ
Summary
| Name: | 3-(2-phenylethyl)-1H-indazole |
| Formula: | C15 H14 N2 |
| Formal charge: | 0 |
| Formula weight: | 222.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 3-(2-phenylethyl)-1H-indazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-9H,10-11H2,(H,16,17) |
| InChIKey | InChI | 1.03 | LXISBZUPGQAOKP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(Cc1n[nH]c2ccccc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | C(Cc1n[nH]c2ccccc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCc2c3ccccc3[nH]n2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCc2c3ccccc3[nH]n2 |
