種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC(C(Oc1cc2c(cc1)n(nc2)c3ccc(F)cc3)c4ccccc4)NC(=O)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C24H19F4N3O2/c1-15(30-23(32)24(26,27)28)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-29-31(21)19-9-7-18(25)8-10-19/h2-15,22H,1H3,(H,30,32)/t15-,22-/m0/s1 |
InChIKey | InChI | 1.03 | UITKQZZSZUEHEA-NYHFZMIOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)c3ccc(F)cc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)C(F)(F)F)[CH](Oc1ccc2n(ncc2c1)c3ccc(F)cc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(c1ccccc1)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F |