Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc(cc(F)c1CNC(=O)C1=NN(c2cnccc2)C(C)=CC1=O)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C24H18F2N4O2/c1-15-10-22(31)23(29-30(15)18-8-5-9-27-13-18)24(32)28-14-19-20(25)11-17(12-21(19)26)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,28,32) |
InChIKey | InChI | 1.06 | QGRKCWFQYSUFHT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)C(=NN1c2cccnc2)C(=O)NCc3c(F)cc(cc3F)c4ccccc4 |
SMILES | CACTVS | 3.385 | CC1=CC(=O)C(=NN1c2cccnc2)C(=O)NCc3c(F)cc(cc3F)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)C(=NN1c2cccnc2)C(=O)NCc3c(cc(cc3F)c4ccccc4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)C(=NN1c2cccnc2)C(=O)NCc3c(cc(cc3F)c4ccccc4)F |