種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c21occc1c(ncc2)Oc3ccc(c(c3)C)C4=C(C(NC(N4C)=O)=O)C |
InChI | InChI | 1.03 | InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25) |
InChIKey | InChI | 1.03 | CKMFOKUQUOYIOR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)NC(=O)C(=C1c2ccc(Oc3nccc4occc34)cc2C)C |
SMILES | CACTVS | 3.385 | CN1C(=O)NC(=O)C(=C1c2ccc(Oc3nccc4occc34)cc2C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c4ccoc4ccn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c4ccoc4ccn3 |