Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)C5(c4nnc3c(Oc2ccccc2F)cccn34)CC5 |
InChI | InChI | 1.03 | InChI=1S/C21H15ClFN3O/c22-15-9-7-14(8-10-15)21(11-12-21)20-25-24-19-18(6-3-13-26(19)20)27-17-5-2-1-4-16(17)23/h1-10,13H,11-12H2 |
InChIKey | InChI | 1.03 | OUNKWLWWQCCPIP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Fc1ccccc1Oc2cccn3c2nnc3C4(CC4)c5ccc(Cl)cc5 |
SMILES | CACTVS | 3.370 | Fc1ccccc1Oc2cccn3c2nnc3C4(CC4)c5ccc(Cl)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F |