Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C16H15F3N6O3/c1-8(21-14(26)10-7-11(16(17,18)19)23-25(10)2)15-22-13(24-28-15)9-4-5-20-12(6-9)27-3/h4-8H,1-3H3,(H,21,26)/t8-/m0/s1 |
InChIKey | InChI | 1.06 | HBUQPGAOVFRJMM-QMMMGPOBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccn1)c2noc(n2)[C@H](C)NC(=O)c3cc(nn3C)C(F)(F)F |
SMILES | CACTVS | 3.385 | COc1cc(ccn1)c2noc(n2)[CH](C)NC(=O)c3cc(nn3C)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1nc(no1)c2ccnc(c2)OC)NC(=O)c3cc(nn3C)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1nc(no1)c2ccnc(c2)OC)NC(=O)c3cc(nn3C)C(F)(F)F |