Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(nn(C(c1ccc(C(F)(F)F)cc1)C)c3c2C(=O)NC(C)=N3)CO |
InChI | InChI | 1.03 | InChI=1S/C16H15F3N4O2/c1-8(10-3-5-11(6-4-10)16(17,18)19)23-14-13(12(7-24)22-23)15(25)21-9(2)20-14/h3-6,8,24H,7H2,1-2H3,(H,20,21,25)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | WOPONWMJGIDXSF-QMMMGPOBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](n1nc(CO)c2C(=O)NC(=Nc12)C)c3ccc(cc3)C(F)(F)F |
SMILES | CACTVS | 3.385 | C[CH](n1nc(CO)c2C(=O)NC(=Nc12)C)c3ccc(cc3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=Nc2c(c(nn2[C@@H](C)c3ccc(cc3)C(F)(F)F)CO)C(=O)N1 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1=Nc2c(c(nn2C(C)c3ccc(cc3)C(F)(F)F)CO)C(=O)N1 |