1IB
Summary
| Name: | N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide |
| Formula: | C18 H24 F2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 322.393 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18- |
| InChIKey | InChI | 1.03 | SXMBKHYDZOCBMT-PPUGGXLSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)[C@@H]1C[C@@](F)(C1)c2ccc(CN3CCCC3)c(F)c2 |
| SMILES | CACTVS | 3.385 | CCNC(=O)[CH]1C[C](F)(C1)c2ccc(CN3CCCC3)c(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)C1CC(C1)(c2ccc(c(c2)F)CN3CCCC3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)C1CC(C1)(c2ccc(c(c2)F)CN3CCCC3)F |
