A1ETU
Summary
| Name: | 2-[3,5-bis(chloranyl)pyridin-4-yl]-1-(2-chloranyl-8-methoxy-quinolin-5-yl)ethanone |
| Formula: | C17 H11 Cl3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 381.64 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[3,5-bis(chloranyl)pyridin-4-yl]-1-(2-chloranyl-8-methoxy-quinolin-5-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H11Cl3N2O2/c1-24-15-4-2-9(10-3-5-16(20)22-17(10)15)14(23)6-11-12(18)7-21-8-13(11)19/h2-5,7-8H,6H2,1H3 |
| InChIKey | InChI | 1.06 | ZWXCDNTXAYABSD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c3ccc(Cl)nc13 |
| SMILES | CACTVS | 3.385 | COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c3ccc(Cl)nc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(c2c1nc(cc2)Cl)C(=O)Cc3c(cncc3Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(c2c1nc(cc2)Cl)C(=O)Cc3c(cncc3Cl)Cl |
