Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cnn(CCC)c1C(=O)Nc1ccc2[NH]c(nc2c1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C20H18ClN5O/c1-2-10-26-18(15(21)12-22-26)20(27)23-14-8-9-16-17(11-14)25-19(24-16)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,23,27)(H,24,25) |
InChIKey | InChI | 1.03 | NJHNXERHVAPHPG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCn1ncc(Cl)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4ccccc4 |
SMILES | CACTVS | 3.385 | CCCn1ncc(Cl)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCn1c(c(cn1)Cl)C(=O)Nc2ccc3c(c2)nc([nH]3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCn1c(c(cn1)Cl)C(=O)Nc2ccc3c(c2)nc([nH]3)c4ccccc4 |