種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c4ccc3c(N(C2CCN(CC(C)NC(=O)c1ccc(cc1)F)CC2)C(=O)N3)c4 |
InChI | InChI | 1.03 | InChI=1S/C22H25FN4O2/c1-15(24-21(28)16-6-8-17(23)9-7-16)14-26-12-10-18(11-13-26)27-20-5-3-2-4-19(20)25-22(27)29/h2-9,15,18H,10-14H2,1H3,(H,24,28)(H,25,29)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | KKKBWVASRHMJPO-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CN1CCC(CC1)N2C(=O)Nc3ccccc23)NC(=O)c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | C[CH](CN1CCC(CC1)N2C(=O)Nc3ccccc23)NC(=O)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CN1CCC(CC1)N2c3ccccc3NC2=O)NC(=O)c4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(CN1CCC(CC1)N2c3ccccc3NC2=O)NC(=O)c4ccc(cc4)F |