Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(\C=C/n1nc(nc1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)N3CC(F)(F)C3 |
InChI | InChI | 1.03 | InChI=1S/C16H10F8N4O/c17-14(18)6-27(7-14)12(29)1-2-28-8-25-13(26-28)9-3-10(15(19,20)21)5-11(4-9)16(22,23)24/h1-5,8H,6-7H2/b2-1+ |
InChIKey | InChI | 1.03 | JCHAWRDHMUSLMM-OWOJBTEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC1(F)CN(C1)C(=O)\C=C\n2cnc(n2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F |
SMILES | CACTVS | 3.385 | FC1(F)CN(C1)C(=O)C=Cn2cnc(n2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C=CC(=O)N3CC(C3)(F)F |
SMILES | OpenEye OEToolkits | 1.9.2 | c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C=CC(=O)N3CC(C3)(F)F |