SLW
Summary
| Name: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide |
| Synonyms: | 4-chloranyl-~{N}-[(1~{R})-1-[(1~{S},5~{R})-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide |
| Formula: | C25 H25 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 420.931 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-~{N}-[(1~{R})-1-[(1~{S},5~{R})-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H25ClN2O2/c1-2-21(28-25(29)15-7-9-16(26)10-8-15)24-19-13-17(14-20(19)24)30-23-11-12-27-22-6-4-3-5-18(22)23/h3-12,17,19-21,24H,2,13-14H2,1H3,(H,28,29)/t17-,19-,20+,21-,24+/m1/s1 |
| InChIKey | InChI | 1.03 | UAXPPQPDGOMVPD-MJALHYBGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)Oc4ccnc5ccccc45 |
| SMILES | CACTVS | 3.385 | CC[CH](NC(=O)c1ccc(Cl)cc1)[CH]2[CH]3C[CH](C[CH]23)Oc4ccnc5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](C1[C@H]2[C@@H]1CC(C2)Oc3ccnc4c3cccc4)NC(=O)c5ccc(cc5)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C1C2C1CC(C2)Oc3ccnc4c3cccc4)NC(=O)c5ccc(cc5)Cl |
