Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2C(=O)N(c1cccc(c1)OC(F)(F)F)CC(CCCC)N2Cc3n(cnc3)Cc4ccc(Br)cc4 |
InChI | InChI | 1.03 | InChI=1S/C26H28BrF3N4O2/c1-2-3-5-22-16-34(21-6-4-7-24(12-21)36-26(28,29)30)25(35)17-32(22)15-23-13-31-18-33(23)14-19-8-10-20(27)11-9-19/h4,6-13,18,22H,2-3,5,14-17H2,1H3/t22-/m0/s1 |
InChIKey | InChI | 1.03 | GQAHQWQDBPUSHR-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H]1CN(C(=O)CN1Cc2cncn2Cc3ccc(Br)cc3)c4cccc(OC(F)(F)F)c4 |
SMILES | CACTVS | 3.385 | CCCC[CH]1CN(C(=O)CN1Cc2cncn2Cc3ccc(Br)cc3)c4cccc(OC(F)(F)F)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@H]1CN(C(=O)CN1Cc2cncn2Cc3ccc(cc3)Br)c4cccc(c4)OC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC1CN(C(=O)CN1Cc2cncn2Cc3ccc(cc3)Br)c4cccc(c4)OC(F)(F)F |