KWV
Summary
| Name: | ~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide |
| Formula: | C11 H11 Cl2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 272.131 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H11Cl2N3O/c1-7(17)14-11-4-5-16(15-11)8-2-3-9(12)10(13)6-8/h2-3,6H,4-5H2,1H3,(H,14,15,17) |
| InChIKey | InChI | 1.03 | CQPBYZABXGBFMI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NC1=NN(CC1)c2ccc(Cl)c(Cl)c2 |
| SMILES | CACTVS | 3.385 | CC(=O)NC1=NN(CC1)c2ccc(Cl)c(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl |
