HOR
Summary
| Name: | 4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile |
| Synonyms: | SAR7334 |
| Formula: | C21 H22 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 367.872 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[(1~{R},2~{R})-2-[(3~{R})-3-azanylpiperidin-1-yl]-2,3-dihydro-1~{H}-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1 |
| InChIKey | InChI | 1.03 | RLKRLNQEXBPQGQ-OZOXKJRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CCCN(C1)[C@@H]2Cc3ccccc3[C@H]2Oc4ccc(cc4Cl)C#N |
| SMILES | CACTVS | 3.385 | N[CH]1CCCN(C1)[CH]2Cc3ccccc3[CH]2Oc4ccc(cc4Cl)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3Cl)C#N)N4CCC[C@H](C4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CC(C2Oc3ccc(cc3Cl)C#N)N4CCCC(C4)N |
