Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c3c1n(C(CC(N1)c2ccc(cc2)CC)C)nc3)NCc4ccc(cc4)F |
InChI | InChI | 1.03 | InChI=1S/C23H25FN4O/c1-3-16-4-8-18(9-5-16)21-12-15(2)28-22(27-21)20(14-26-28)23(29)25-13-17-6-10-19(24)11-7-17/h4-11,14-15,21,27H,3,12-13H2,1-2H3,(H,25,29)/t15-,21-/m1/s1 |
InChIKey | InChI | 1.03 | CVQMYJIZDVAJAR-QVKFZJNVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccc(cc1)[C@H]2C[C@@H](C)n3ncc(C(=O)NCc4ccc(F)cc4)c3N2 |
SMILES | CACTVS | 3.385 | CCc1ccc(cc1)[CH]2C[CH](C)n3ncc(C(=O)NCc4ccc(F)cc4)c3N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)F)N2)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CCc1ccc(cc1)C2CC(n3c(c(cn3)C(=O)NCc4ccc(cc4)F)N2)C |