種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C(c1ccccc1)NC(=O)c4ccc3c(ccn3Cc2cc(c(cc2)Cl)F)c4 |
InChI | InChI | 1.03 | InChI=1S/C23H18ClFN2O/c24-20-8-6-17(12-21(20)25)15-27-11-10-18-13-19(7-9-22(18)27)23(28)26-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,28) |
InChIKey | InChI | 1.03 | BYYJMWFBVAZQMV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(Cn2ccc3cc(ccc23)C(=O)NCc4ccccc4)ccc1Cl |
SMILES | CACTVS | 3.385 | Fc1cc(Cn2ccc3cc(ccc23)C(=O)NCc4ccccc4)ccc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNC(=O)c2ccc3c(c2)ccn3Cc4ccc(c(c4)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNC(=O)c2ccc3c(c2)ccn3Cc4ccc(c(c4)F)Cl |