種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)C(O)C(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C17H12Cl2N2O2/c18-13-6-5-10(7-14(13)19)16(22)17(23)21-15-9-20-8-11-3-1-2-4-12(11)15/h1-9,16,22H,(H,21,23)/t16-/m0/s1 |
InChIKey | InChI | 1.06 | CKFWJQDYTZGUBQ-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3 |
SMILES | CACTVS | 3.385 | O[CH](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)[C@H](c3ccc(c(c3)Cl)Cl)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)C(c3ccc(c(c3)Cl)Cl)O |