種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C4NC(=O)NC4c1cn(nc1c2ccc(F)cc2)c3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.370 | Fc1ccc(cc1)c2nn(cc2[C@H]3NC(=O)NC3=O)c4ccccc4 |
SMILES | CACTVS | 3.370 | Fc1ccc(cc1)c2nn(cc2[CH]3NC(=O)NC3=O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)[C@@H]4C(=O)NC(=O)N4 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)C4C(=O)NC(=O)N4 |
InChI | InChI | 1.03 | InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | MPQWYPLPWGUMJE-MRXNPFEDSA-N |