Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Cn1cc(cn1)c1cc(nc(n1)N1CCC1C)C(F)(F)F)N1CCNCC1 |
InChI | InChI | 1.06 | InChI=1S/C18H22F3N7O/c1-12-2-5-28(12)17-24-14(8-15(25-17)18(19,20)21)13-9-23-27(10-13)11-16(29)26-6-3-22-4-7-26/h8-10,12,22H,2-7,11H2,1H3/t12-/m0/s1 |
InChIKey | InChI | 1.06 | HAUDFIFEGDNKJX-LBPRGKRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCN1c2nc(cc(n2)C(F)(F)F)c3cnn(CC(=O)N4CCNCC4)c3 |
SMILES | CACTVS | 3.385 | C[CH]1CCN1c2nc(cc(n2)C(F)(F)F)c3cnn(CC(=O)N4CCNCC4)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCN1c2nc(cc(n2)C(F)(F)F)c3cnn(c3)CC(=O)N4CCNCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCN1c2nc(cc(n2)C(F)(F)F)c3cnn(c3)CC(=O)N4CCNCC4 |