種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N(C(c1ccc(cc1)NC(N2Cc3ccccc3C2)=O)=O)CC4CCOC4 |
InChI | InChI | 1.03 | InChI=1S/C21H23N3O3/c25-20(22-11-15-9-10-27-14-15)16-5-7-19(8-6-16)23-21(26)24-12-17-3-1-2-4-18(17)13-24/h1-8,15H,9-14H2,(H,22,25)(H,23,26)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | BLZJCPAXCWJANZ-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccc(cc1)C(=O)NC[C@@H]2CCOC2)N3Cc4ccccc4C3 |
SMILES | CACTVS | 3.385 | O=C(Nc1ccc(cc1)C(=O)NC[CH]2CCOC2)N3Cc4ccccc4C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NC[C@@H]4CCOC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NCC4CCOC4 |