Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H20F3NO3/c1-14-21(22(28)19-4-2-3-5-20(19)27-14)15-6-8-16(9-7-15)29-17-10-12-18(13-11-17)30-23(24,25)26/h6-13,21H,2-5H2,1H3/t21-/m1/s1 |
InChIKey | InChI | 1.03 | VUKDUSVBXDIIJP-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=NC2=C(CCCC2)C(=O)[C@H]1c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3 |
SMILES | CACTVS | 3.385 | CC1=NC2=C(CCCC2)C(=O)[CH]1c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=NC2=C(CCCC2)C(=O)C1c3ccc(cc3)Oc4ccc(cc4)OC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=NC2=C(CCCC2)C(=O)C1c3ccc(cc3)Oc4ccc(cc4)OC(F)(F)F |