種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(Nc1ccc(C)c(c1)C(NC(C)c2cccc3c2cccc3)=O)NC\C=C |
InChI | InChI | 1.03 | InChI=1S/C24H25N3O2/c1-4-14-25-24(29)27-19-13-12-16(2)22(15-19)23(28)26-17(3)20-11-7-9-18-8-5-6-10-21(18)20/h4-13,15,17H,1,14H2,2-3H3,(H,26,28)(H2,25,27,29)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | UPLVMSAQDITPGI-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)c1cc(NC(=O)NCC=C)ccc1C)c2cccc3ccccc23 |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)c1cc(NC(=O)NCC=C)ccc1C)c2cccc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NCC=C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)NC(=O)NCC=C |