種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C28H25FN6O2/c1-16(18-4-3-5-21(29)12-18)30-27(37)23-15-34(2)24-9-8-19(13-22(23)24)20-10-11-35-25(14-20)31-28(33-35)32-26(36)17-6-7-17/h3-5,8-17H,6-7H2,1-2H3,(H,30,37)(H,32,33,36)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | MMHXIUIFLQILFX-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)c1cn(C)c2ccc(cc12)c3ccn4nc(NC(=O)C5CC5)nc4c3)c6cccc(F)c6 |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)c1cn(C)c2ccc(cc12)c3ccn4nc(NC(=O)C5CC5)nc4c3)c6cccc(F)c6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1cccc(c1)F)NC(=O)c2cn(c3c2cc(cc3)c4ccn5c(c4)nc(n5)NC(=O)C6CC6)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cccc(c1)F)NC(=O)c2cn(c3c2cc(cc3)c4ccn5c(c4)nc(n5)NC(=O)C6CC6)C |