Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/t19-/m1/s1 |
InChIKey | InChI | 1.06 | PMXMIIMHBWHSKN-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCC[C@@H](O)C5=N1 |
SMILES | CACTVS | 3.385 | CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCC[CH](O)C5=N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)N2CCC[C@H](C2=N1)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F |