Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(CN2C(C(c1ccccc12)=O)(C)C)ccccc3OC(F)F |
InChI | InChI | 1.03 | InChI=1S/C18H17F2NO2/c1-18(2)16(22)13-8-4-5-9-14(13)21(18)11-12-7-3-6-10-15(12)23-17(19)20/h3-10,17H,11H2,1-2H3 |
InChIKey | InChI | 1.03 | BSVSFPVFEQPRJW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)N(Cc2ccccc2OC(F)F)c3ccccc3C1=O |
SMILES | CACTVS | 3.385 | CC1(C)N(Cc2ccccc2OC(F)F)c3ccccc3C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C |