5PJ
Summary
Name: | 1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone |
Formula: | C18 H19 F N2 O |
Formal charge: | 0 |
Formula weight: | 298.355 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.4 | 1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H19FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15H,1-3,5-6,9H2/t15-/m0/s1 |
InChIKey | InChI | 1.03 | IDAMUBBXWPKKDM-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc2c3cncn3[C@@H](CC(=O)C4CCCCC4)c12 |
SMILES | CACTVS | 3.385 | Fc1cccc2c3cncn3[CH](CC(=O)C4CCCCC4)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)CC(=O)C4CCCCC4 |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc-2c(c(c1)F)C(n3c2cnc3)CC(=O)C4CCCCC4 |