Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c5(cc(C4N(c3ccc1n(c(cn1)c2ccc(cc2)C#N)n3)CCOC4)ccc5)F |
InChI | InChI | 1.03 | InChI=1S/C23H18FN5O/c24-19-3-1-2-18(12-19)21-15-30-11-10-28(21)23-9-8-22-26-14-20(29(22)27-23)17-6-4-16(13-25)5-7-17/h1-9,12,14,21H,10-11,15H2/t21-/m0/s1 |
InChIKey | InChI | 1.03 | OGLFUDJJJDTBFS-NRFANRHFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(c1)[C@@H]2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N |
SMILES | CACTVS | 3.385 | Fc1cccc(c1)[CH]2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)F)[C@@H]2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)F)C2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N |