種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc3ccc(C(=O)CCCN1CC=C(CC1)c2ccc(cc2)Cl)cc3 |
InChI | InChI | 1.03 | InChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2 |
InChIKey | InChI | 1.03 | ZNOLNAPJKOYTHY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)c3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)c3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2=CCN(CC2)CCCC(=O)c3ccc(cc3)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2=CCN(CC2)CCCC(=O)c3ccc(cc3)F)Cl |