種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1ccc2CCNC(c2c1)C(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C19H16ClN3O/c20-14-6-5-12-7-8-22-18(16(12)9-14)19(24)23-17-11-21-10-13-3-1-2-4-15(13)17/h1-6,9-11,18,22H,7-8H2,(H,23,24)/t18-/m1/s1 |
InChIKey | InChI | 1.06 | RTYGDBGOBVKIGM-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2CCN[C@@H](C(=O)Nc3cncc4ccccc34)c2c1 |
SMILES | CACTVS | 3.385 | Clc1ccc2CCN[CH](C(=O)Nc3cncc4ccccc34)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4CCN3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)C3c4cc(ccc4CCN3)Cl |