7BP
Summary
| Name: | 5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile |
| Formula: | C17 H21 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 304.359 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21FN2O2/c1-17(2,3)13-9-16(21)20(11-13)6-7-22-14-4-5-15(18)12(8-14)10-19/h4-5,8,13H,6-7,9,11H2,1-3H3/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | ZXBQUZQFTWNQON-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)[C@H]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)[CH]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)[C@@H]1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F |
