Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2(=NOC1(CCN(C(=O)CCC(F)(F)F)CC1)C2)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C17H19F3N2O2/c18-17(19,20)7-6-15(23)22-10-8-16(9-11-22)12-14(21-24-16)13-4-2-1-3-5-13/h1-5H,6-12H2 |
InChIKey | InChI | 1.03 | IBVDSAFESRHIBV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CCC(=O)N1CCC2(CC1)CC(=NO2)c3ccccc3 |
SMILES | CACTVS | 3.385 | FC(F)(F)CCC(=O)N1CCC2(CC1)CC(=NO2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F |