種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CNC(=O)c1cccc(c1)c3cc2N(CC(N(c2cc3)C(=O)C)C)C(=O)c4ccco4 |
InChI | InChI | 1.03 | InChI=1S/C24H23N3O4/c1-15-14-26(24(30)22-8-5-11-31-22)21-13-18(9-10-20(21)27(15)16(2)28)17-6-4-7-19(12-17)23(29)25-3/h4-13,15H,14H2,1-3H3,(H,25,29)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | BNLUHUAAWOCZIZ-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cccc(c1)c2ccc3N([C@@H](C)CN(C(=O)c4occc4)c3c2)C(C)=O |
SMILES | CACTVS | 3.385 | CNC(=O)c1cccc(c1)c2ccc3N([CH](C)CN(C(=O)c4occc4)c3c2)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4 |