種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1ccc(nc1)C1CC1 |
InChI | InChI | 1.03 | InChI=1S/C24H21FN2O2/c25-20-8-10-21(11-9-20)27-23(28)24(14-29-15-24)19-6-3-16(4-7-19)18-5-12-22(26-13-18)17-1-2-17/h3-13,17H,1-2,14-15H2,(H,27,28) |
InChIKey | InChI | 1.03 | DJWKVSDUOMVCDV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(NC(=O)C2(COC2)c3ccc(cc3)c4ccc(nc4)C5CC5)cc1 |
SMILES | CACTVS | 3.385 | Fc1ccc(NC(=O)C2(COC2)c3ccc(cc3)c4ccc(nc4)C5CC5)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(nc2)C3CC3)C4(COC4)C(=O)Nc5ccc(cc5)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(nc2)C3CC3)C4(COC4)C(=O)Nc5ccc(cc5)F |