N55
Summary
| Name: | 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol |
| Formula: | C18 H15 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 310.778 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H15ClN2O/c1-2-17(21-10-9-20-12-21)14-5-3-13(4-6-14)15-7-8-18(22)16(19)11-15/h2-12,17,22H,1H2/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | BOCKNSHTLMSFKF-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1Cl)c2ccc(cc2)[C@@H](C=C)n3ccnc3 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1Cl)c2ccc(cc2)[CH](C=C)n3ccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=C[C@H](c1ccc(cc1)c2ccc(c(c2)Cl)O)n3ccnc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(c1ccc(cc1)c2ccc(c(c2)Cl)O)n3ccnc3 |
