S7D
Summary
| Name: | 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone |
| Formula: | C10 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 209.245 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H15N3O2/c1-9-7-12(5-6-15-9)10(14)8-13-4-2-3-11-13/h2-4,9H,5-8H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | YJMLTHJLDUBVIC-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN(CCO1)C(=O)Cn2cccn2 |
| SMILES | CACTVS | 3.385 | C[CH]1CN(CCO1)C(=O)Cn2cccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1CN(CCO1)C(=O)Cn2cccn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1CN(CCO1)C(=O)Cn2cccn2 |
