Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1nc2ccccc2[NH]1 |
InChI | InChI | 1.03 | InChI=1S/C23H18FN3O2/c24-17-9-11-18(12-10-17)25-22(28)23(13-29-14-23)16-7-5-15(6-8-16)21-26-19-3-1-2-4-20(19)27-21/h1-12H,13-14H2,(H,25,28)(H,26,27) |
InChIKey | InChI | 1.03 | OLDGOAIEJVEZFL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(NC(=O)C2(COC2)c3ccc(cc3)c4[nH]c5ccccc5n4)cc1 |
SMILES | CACTVS | 3.385 | Fc1ccc(NC(=O)C2(COC2)c3ccc(cc3)c4[nH]c5ccccc5n4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)C4(COC4)C(=O)Nc5ccc(cc5)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)C4(COC4)C(=O)Nc5ccc(cc5)F |