Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)ccc3 |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1cccc(C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(F)c3)n1 |
SMILES | CACTVS | 3.370 | Nc1cccc(C[CH]2CNC[CH]2OCCNCCc3cccc(F)c3)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)F)CCNCCO[C@H]2CNC[C@H]2Cc3cccc(n3)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)F)CCNCCOC2CNCC2Cc3cccc(n3)N |
InChI | InChI | 1.03 | InChI=1S/C20H27FN4O/c21-17-4-1-3-15(11-17)7-8-23-9-10-26-19-14-24-13-16(19)12-18-5-2-6-20(22)25-18/h1-6,11,16,19,23-24H,7-10,12-14H2,(H2,22,25)/t16-,19+/m1/s1 |
InChIKey | InChI | 1.03 | LRTPFJLYXDIXQR-APWZRJJASA-N |