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 |