| PDB CCD ID: | 7BP |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H21 F N2 O2 |
| InChI: | 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: | ZXBQUZQFTWNQON-CYBMUJFWSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)(C)[C@H]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 | | CACTVS 3.385 | CC(C)(C)[CH]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 | | OpenEye OEToolkits 2.0.6 | CC(C)(C)C1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F | | OpenEye OEToolkits 2.0.6 | CC(C)(C)[C@@H]1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F |
|
| Name: | 5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile |
| ZINC: | ZINC000584905480 |
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