Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(c1c2C(N(Cc2ncc1)C)=O)cn(C)nc3c4ccc(F)cc4 |
InChI | InChI | 1.03 | InChI=1S/C18H15FN4O/c1-22-10-15-16(18(22)24)13(7-8-20-15)14-9-23(2)21-17(14)11-3-5-12(19)6-4-11/h3-9H,10H2,1-2H3 |
InChIKey | InChI | 1.03 | NGDXEOHYWJHBTJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1Cc2nccc(c3cn(C)nc3c4ccc(F)cc4)c2C1=O |
SMILES | CACTVS | 3.385 | CN1Cc2nccc(c3cn(C)nc3c4ccc(F)cc4)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C |