Y5N
Summary
| Name: | 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline |
| Formula: | C19 H16 Cl2 N2 |
| Formal charge: | 0 |
| Formula weight: | 343.25 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H16Cl2N2/c20-16-7-4-8-17(12-16)23-18(11-14-5-2-1-3-6-14)15-9-10-19(21)22-13-15/h1-10,12-13,18,23H,11H2/t18-/m0/s1 |
| InChIKey | InChI | 1.06 | FPQMXEJXTNDYME-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(N[C@@H](Cc2ccccc2)c3ccc(Cl)nc3)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(N[CH](Cc2ccccc2)c3ccc(Cl)nc3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H](c2ccc(nc2)Cl)Nc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(c2ccc(nc2)Cl)Nc3cccc(c3)Cl |
