Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C25H22F2N4O2/c1-29-13-15-30(16-14-29)25-28-23-21(3-2-4-22(23)27)24(32)31(25)18-7-11-20(12-8-18)33-19-9-5-17(26)6-10-19/h2-12H,13-16H2,1H3 |
InChIKey | InChI | 1.06 | NUGPMKZYSBKNPU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C2=Nc3c(F)cccc3C(=O)N2c4ccc(Oc5ccc(F)cc5)cc4 |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)C2=Nc3c(F)cccc3C(=O)N2c4ccc(Oc5ccc(F)cc5)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C2=Nc3c(cccc3F)C(=O)N2c4ccc(cc4)Oc5ccc(cc5)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C2=Nc3c(cccc3F)C(=O)N2c4ccc(cc4)Oc5ccc(cc5)F |