KXH
Summary
| Name: | ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate |
| Formula: | C16 H19 Cl2 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 356.247 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19Cl2N3O2/c1-2-23-16(22)12-10-21(8-4-3-7-19)20-15(12)11-5-6-13(17)14(18)9-11/h5-6,9-10H,2-4,7-8,19H2,1H3 |
| InChIKey | InChI | 1.03 | XOCDXRVHDVXMSJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1cn(CCCCN)nc1c2ccc(Cl)c(Cl)c2 |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1cn(CCCCN)nc1c2ccc(Cl)c(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN |
