種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C35H39F2N4O3/c1-41(23-5-8-27-6-3-2-4-7-27)24-21-39(22-25-41)35(43)40(31-15-13-30(37)14-16-31)26-32-17-18-33(44-32)34(42)38-20-19-28-9-11-29(36)12-10-28/h2-4,6-7,9-18H,5,8,19-26H2,1H3,(H,38,42) |
InChIKey | InChI | 1.06 | XIDHOMHZHFMUIP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[N]1(CCCc2ccccc2)CCN(CC1)C(=O)N(Cc3oc(cc3)C(=O)NCCc4ccc(F)cc4)c5ccc(F)cc5 |
SMILES | CACTVS | 3.385 | C[N]1(CCCc2ccccc2)CCN(CC1)C(=O)N(Cc3oc(cc3)C(=O)NCCc4ccc(F)cc4)c5ccc(F)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[N]1(CCN(CC1)C(=O)N(Cc2ccc(o2)C(=O)NCCc3ccc(cc3)F)c4ccc(cc4)F)CCCc5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | C[N]1(CCN(CC1)C(=O)N(Cc2ccc(o2)C(=O)NCCc3ccc(cc3)F)c4ccc(cc4)F)CCCc5ccccc5 |