A1IS2
Summary
| Name: | 8-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline |
| Formula: | C14 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 223.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-(3,5-dimethyl-1~{H}-pyrazol-4-yl)quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H13N3/c1-9-13(10(2)17-16-9)12-7-3-5-11-6-4-8-15-14(11)12/h3-8H,1-2H3,(H,16,17) |
| InChIKey | InChI | 1.06 | GYFCQCULMGSZEK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nc(C)c1c2cccc3cccnc23 |
| SMILES | CACTVS | 3.385 | Cc1[nH]nc(C)c1c2cccc3cccnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n[nH]1)C)c2cccc3c2nccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n[nH]1)C)c2cccc3c2nccc3 |
