Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N2CCN(c1ccc(cc1)C(F)(F)F)CC2)C(c3ccc(Cl)cc3)c4cccnc4 |
InChI | InChI | 1.03 | InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/s1 |
InChIKey | InChI | 1.03 | OJFZYAQGMWSUID-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)[C@@H](c3ccc(Cl)cc3)c4cccnc4 |
SMILES | CACTVS | 3.385 | FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)[CH](c3ccc(Cl)cc3)c4cccnc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)[C@H](c2ccc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)C(c2ccc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(F)F |