GW1
Summary
| Name: | (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone |
| Formula: | C10 H14 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 227.691 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H14ClN3O/c1-13-9(8(11)7-12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3 |
| InChIKey | InChI | 1.03 | KRGQOKCRZMRVRH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(Cl)c1C(=O)N2CCCCC2 |
| SMILES | CACTVS | 3.385 | Cn1ncc(Cl)c1C(=O)N2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c(c(cn1)Cl)C(=O)N2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c(c(cn1)Cl)C(=O)N2CCCCC2 |
