PWI
Summary
| Name: | 4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine |
| Formula: | C18 H17 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 334.24 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-~{N}-methyl-but-2-yn-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H17Cl2NO/c1-21-10-2-3-11-22-13-15-12-17(20)8-9-18(15)14-4-6-16(19)7-5-14/h4-9,12,21H,10-11,13H2,1H3 |
| InChIKey | InChI | 1.06 | FJNMVNJFSRLFRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCC#CCOCc1cc(Cl)ccc1c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | CNCC#CCOCc1cc(Cl)ccc1c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCC#CCOCc1cc(ccc1c2ccc(cc2)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCC#CCOCc1cc(ccc1c2ccc(cc2)Cl)Cl |
