Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C=CC(=CN1)CN2CCN(CC2)C4CCC(O)(c3cc(ccc3)C(F)(F)F)CC4)=O |
InChI | InChI | 1.03 | InChI=1S/C23H28F3N3O2/c24-23(25,26)19-3-1-2-18(14-19)22(31)8-6-20(7-9-22)29-12-10-28(11-13-29)16-17-4-5-21(30)27-15-17/h1-5,14-15,20,31H,6-13,16H2,(H,27,30)/t20-,22- |
InChIKey | InChI | 1.03 | HGNRFWCPFKHVCH-AQYVVDRMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@]1(CC[C@@H](CC1)N2CCN(CC2)CC3=CNC(=O)C=C3)c4cccc(c4)C(F)(F)F |
SMILES | CACTVS | 3.385 | O[C]1(CC[CH](CC1)N2CCN(CC2)CC3=CNC(=O)C=C3)c4cccc(c4)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)C2(CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)C2(CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4)O |