種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1cc2ccoc2c(c1)CC(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C19H13ClN2O2/c20-15-7-12-5-6-24-19(12)14(8-15)9-18(23)22-17-11-21-10-13-3-1-2-4-16(13)17/h1-8,10-11H,9H2,(H,22,23) |
InChIKey | InChI | 1.06 | BSHOYSAYHBYYEY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(CC(=O)Nc2cncc3ccccc23)c4occc4c1 |
SMILES | CACTVS | 3.385 | Clc1cc(CC(=O)Nc2cncc3ccccc23)c4occc4c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc4c3occ4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc4c3occ4)Cl |