YSY
Summary
| Name: | 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile |
| Synonyms: | Osilodrostat |
| Formula: | C13 H10 F N3 |
| Formal charge: | 0 |
| Formula weight: | 227.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile |
| OpenEye OEToolkits | 2.0.7 | 4-[(5~{R})-6,7-dihydro-5~{H}-pyrrolo[1,2-c]imidazol-5-yl]-3-fluoranyl-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1ccc(C2CCc3cncn32)c(F)c1 |
| InChI | InChI | 1.03 | InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | USUZGMWDZDXMDG-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(ccc1[C@H]2CCc3cncn23)C#N |
| SMILES | CACTVS | 3.385 | Fc1cc(ccc1[CH]2CCc3cncn23)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C#N)F)[C@H]2CCc3n2cnc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C#N)F)C2CCc3n2cnc3 |
