5PK
Summary
| Name: | (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol |
| Formula: | C18 H22 N2 O |
| Formal charge: | 0 |
| Formula weight: | 282.38 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2/t16-,18+/m0/s1 |
| InChIKey | InChI | 1.03 | YTRRAUACYORZLX-FUHWJXTLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](C[C@@H]1n2cncc2c3ccccc13)C4CCCCC4 |
| SMILES | CACTVS | 3.385 | O[CH](C[CH]1n2cncc2c3ccccc13)C4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)-c3cncn3C2CC(C4CCCCC4)O |
