Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cccc(C2=NC(C)=C(Cc3ccccc3)C(=O)N2CCc2ccccc2)c1O |
InChI | InChI | 1.03 | InChI=1S/C26H23FN2O2/c1-18-22(17-20-11-6-3-7-12-20)26(31)29(16-15-19-9-4-2-5-10-19)25(28-18)21-13-8-14-23(27)24(21)30/h2-14,30H,15-17H2,1H3 |
InChIKey | InChI | 1.03 | BFDADFMMNADXMI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(Cc2ccccc2)C(=O)N(CCc3ccccc3)C(=N1)c4cccc(F)c4O |
SMILES | CACTVS | 3.385 | CC1=C(Cc2ccccc2)C(=O)N(CCc3ccccc3)C(=N1)c4cccc(F)c4O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)N(C(=N1)c2cccc(c2O)F)CCc3ccccc3)Cc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)N(C(=N1)c2cccc(c2O)F)CCc3ccccc3)Cc4ccccc4 |