Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(c1ccccc1)C)c2cc(cc(F)c2)CN3C(=NC(CC3=O)(C)C(C)C)N |
InChI | InChI | 1.03 | InChI=1S/C24H29FN4O2/c1-15(2)24(4)13-21(30)29(23(26)28-24)14-17-10-19(12-20(25)11-17)22(31)27-16(3)18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3,(H2,26,28)(H,27,31)/t16-,24-/m0/s1 |
InChIKey | InChI | 1.03 | PGSGWIDQXZCHJL-FYSMJZIKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[C@@H](C)c3ccccc3)C(=N1)N |
SMILES | CACTVS | 3.385 | CC(C)[C]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[CH](C)c3ccccc3)C(=N1)N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)F)CN3C(=O)C[C@@](N=C3N)(C)C(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C1(CC(=O)N(C(=N1)N)Cc2cc(cc(c2)F)C(=O)NC(C)c3ccccc3)C |