Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4cc(N1CC(CCCC)N(CC1=O)Cc2n(cnc2)Cc3ccc(cc3)Cl)cc(c4)OC(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C26H28ClF3N4O2/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 | POBHWQSJZMJUAH-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H]1CN(C(=O)CN1Cc2cncn2Cc3ccc(Cl)cc3)c4cccc(OC(F)(F)F)c4 |
SMILES | CACTVS | 3.385 | CCCC[CH]1CN(C(=O)CN1Cc2cncn2Cc3ccc(Cl)cc3)c4cccc(OC(F)(F)F)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@H]1CN(C(=O)CN1Cc2cncn2Cc3ccc(cc3)Cl)c4cccc(c4)OC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC1CN(C(=O)CN1Cc2cncn2Cc3ccc(cc3)Cl)c4cccc(c4)OC(F)(F)F |