Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(nccc(N1C(OCC1C(F)C)=O)n2)NC(c4ncc(c3ccnc(c3)C(F)(F)F)c(C)c4)C |
InChI | InChI | 1.03 | InChI=1S/C23H22F4N6O2/c1-12-8-17(30-10-16(12)15-4-6-28-19(9-15)23(25,26)27)14(3)31-21-29-7-5-20(32-21)33-18(13(2)24)11-35-22(33)34/h4-10,13-14,18H,11H2,1-3H3,(H,29,31,32)/t13-,14-,18+/m0/s1 |
InChIKey | InChI | 1.03 | DCGDPJCUIKLTDU-SUNYJGFJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](F)[C@H]1COC(=O)N1c2ccnc(N[C@@H](C)c3cc(C)c(cn3)c4ccnc(c4)C(F)(F)F)n2 |
SMILES | CACTVS | 3.385 | C[CH](F)[CH]1COC(=O)N1c2ccnc(N[CH](C)c3cc(C)c(cn3)c4ccnc(c4)C(F)(F)F)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)C(C)Nc3nccc(n3)N4C(COC4=O)C(C)F |