7BW
Summary
| Name: | 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile |
| Formula: | C15 H17 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 276.306 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H17FN2O2/c1-15(2)8-14(19)18(10-15)5-6-20-12-3-4-13(16)11(7-12)9-17/h3-4,7H,5-6,8,10H2,1-2H3 |
| InChIKey | InChI | 1.03 | GRUADGBFIDAGDY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |
| SMILES | CACTVS | 3.385 | CC1(C)CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)C |
