Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H21FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26/h3-4,9-13H,5-8H2,1-2H3 |
InChIKey | InChI | 1.03 | OCIABPGRNCLBEI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C2=CN3C(=O)C=C(N=C3C=C2)c4cn5cc(C)nc5c(F)c4 |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)C2=CN3C(=O)C=C(N=C3C=C2)c4cn5cc(C)nc5c(F)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=N3)N5CCN(CC5)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=N3)N5CCN(CC5)C |