Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c4cc(c1nc(C=[N@H])c2ncn(c2c1)C)ccc4OCCCN3CCN(CC3)C |
SMILES_CANONICAL | CACTVS | 3.370 | CN1CCN(CCCOc2ccc(cc2C(F)(F)F)c3cc4n(C)cnc4c(C=N)n3)CC1 |
SMILES | CACTVS | 3.370 | CN1CCN(CCCOc2ccc(cc2C(F)(F)F)c3cc4n(C)cnc4c(C=N)n3)CC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C/c1c2c(cc(n1)c3ccc(c(c3)C(F)(F)F)OCCCN4CCN(CC4)C)n(cn2)C |
SMILES | OpenEye OEToolkits | 1.7.0 | Cn1cnc2c1cc(nc2C=N)c3ccc(c(c3)C(F)(F)F)OCCCN4CCN(CC4)C |
InChI | InChI | 1.03 | InChI=1S/C23H27F3N6O/c1-30-7-9-32(10-8-30)6-3-11-33-21-5-4-16(12-17(21)23(24,25)26)18-13-20-22(19(14-27)29-18)28-15-31(20)2/h4-5,12-15,27H,3,6-11H2,1-2H3/b27-14+ |
InChIKey | InChI | 1.03 | MZJARPQAOGJEES-MZJWZYIUSA-N |