Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(NC1CC1)c2cc(c(Cl)cc2)Nc3nncc4c3cnn4c5c(F)cccc5F |
SMILES_CANONICAL | CACTVS | 3.352 | Fc1cccc(F)c1n2ncc3c(Nc4cc(ccc4Cl)C(=O)NC5CC5)nncc23 |
SMILES | CACTVS | 3.352 | Fc1cccc(F)c1n2ncc3c(Nc4cc(ccc4Cl)C(=O)NC5CC5)nncc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)F)n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)F |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)F)n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)F |
InChI | InChI | 1.03 | InChI=1S/C21H15ClF2N6O/c22-14-7-4-11(21(31)27-12-5-6-12)8-17(14)28-20-13-9-26-30(18(13)10-25-29-20)19-15(23)2-1-3-16(19)24/h1-4,7-10,12H,5-6H2,(H,27,31)(H,28,29) |
InChIKey | InChI | 1.03 | ZWVCUFJZBBAOFI-UHFFFAOYSA-N |