WCI
Summary
| Name: | N-(3,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)acetamide |
| Formula: | C11 H9 Cl2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 270.115 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3,4-dichlorophenyl)-2-pyrazol-1-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccc(Cl)c(Cl)c1)Cn1cccn1 |
| InChI | InChI | 1.06 | InChI=1S/C11H9Cl2N3O/c12-9-3-2-8(6-10(9)13)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17) |
| InChIKey | InChI | 1.06 | OJNBQDXTZKXOOH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(NC(=O)Cn2cccn2)cc1Cl |
| SMILES | CACTVS | 3.385 | Clc1ccc(NC(=O)Cn2cccn2)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnn(c1)CC(=O)Nc2ccc(c(c2)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnn(c1)CC(=O)Nc2ccc(c(c2)Cl)Cl |
