Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H24F3N3O3/c1-14-11-17(13-27(2)21(14)29)16-3-4-18-19(12-16)28(7-10-31-22(23,24)25)20(26-18)15-5-8-30-9-6-15/h3-4,11-13,15H,5-10H2,1-2H3 |
InChIKey | InChI | 1.03 | KPWWFNXRLAAREN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(C=C(C)C1=O)c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2 |
SMILES | CACTVS | 3.385 | CN1C=C(C=C(C)C1=O)c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CN(C1=O)C)c2ccc3c(c2)n(c(n3)C4CCOCC4)CCOC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CN(C1=O)C)c2ccc3c(c2)n(c(n3)C4CCOCC4)CCOC(F)(F)F |