種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1ccc2OCCC(N)(c2c1)C(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C19H16ClN3O2/c20-13-5-6-17-15(9-13)19(21,7-8-25-17)18(24)23-16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8,21H2,(H,23,24)/t19-/m0/s1 |
InChIKey | InChI | 1.06 | RPJBJMKATYTDKW-IBGZPJMESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 |
SMILES | CACTVS | 3.385 | N[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)N |