Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc(cc(c1)CCC2CCCN2)CCc3cc(cc(n3)N)C |
InChI | InChI | 1.03 | InChI=1S/C20H26FN3/c1-14-9-19(24-20(22)10-14)7-5-16-11-15(12-17(21)13-16)4-6-18-3-2-8-23-18/h9-13,18,23H,2-8H2,1H3,(H2,22,24)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | PTOVOAJZRWYLQM-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cc(F)cc(CC[C@@H]3CCCN3)c2)c1 |
SMILES | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cc(F)cc(CC[CH]3CCCN3)c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CCCN3 |