Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4cc(n1c(c(C(O)=O)cn1)OCCCc2cnc3ccccc23)ccc4F |
InChI | InChI | 1.03 | InChI=1S/C21H18FN3O3/c22-15-7-9-16(10-8-15)25-20(18(13-24-25)21(26)27)28-11-3-4-14-12-23-19-6-2-1-5-17(14)19/h1-2,5-10,12-13,23H,3-4,11H2,(H,26,27) |
InChIKey | InChI | 1.03 | HECYVAQVQUQMCB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cnn(c2ccc(F)cc2)c1OCCCc3c[nH]c4ccccc34 |
SMILES | CACTVS | 3.385 | OC(=O)c1cnn(c2ccc(F)cc2)c1OCCCc3c[nH]c4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O |