ET8
Summary
| Name: | 3-phenyl-5-(pyridin-4-yl)-1H-indazole |
| Formula: | C18 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 271.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-phenyl-5-(pyridin-4-yl)-1H-indazole |
| OpenEye OEToolkits | 2.0.6 | 3-phenyl-5-pyridin-4-yl-1~{H}-indazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c4cc(c2cc1c(nnc1cc2)c3ccccc3)ccn4 |
| InChI | InChI | 1.03 | InChI=1S/C18H13N3/c1-2-4-14(5-3-1)18-16-12-15(6-7-17(16)20-21-18)13-8-10-19-11-9-13/h1-12H,(H,20,21) |
| InChIKey | InChI | 1.03 | JSIJZTBLHULTDZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1nc(c2ccccc2)c3cc(ccc13)c4ccncc4 |
| SMILES | CACTVS | 3.385 | [nH]1nc(c2ccccc2)c3cc(ccc13)c4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2c3cc(ccc3[nH]n2)c4ccncc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2c3cc(ccc3[nH]n2)c4ccncc4 |
