種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1ccc2CNCC(c2c1)C(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C19H16ClN3O/c20-14-6-5-13-9-21-10-17(16(13)7-14)19(24)23-18-11-22-8-12-3-1-2-4-15(12)18/h1-8,11,17,21H,9-10H2,(H,23,24)/t17-/m1/s1 |
InChIKey | InChI | 1.06 | SYSIIGBRVBHDHN-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2CNC[C@@H](C(=O)Nc3cncc4ccccc34)c2c1 |
SMILES | CACTVS | 3.385 | Clc1ccc2CNC[CH](C(=O)Nc3cncc4ccccc34)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNCc4c3cc(cc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)C3CNCc4c3cc(cc4)Cl |