Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)c1cnn(C)c1C(=O)Nc1ccc2[NH]c(nc2c1)c1cccc(Cl)c1 |
InChI | InChI | 1.03 | InChI=1S/C19H15ClN6O2/c1-26-16(13(9-22-26)17(21)27)19(28)23-12-5-6-14-15(8-12)25-18(24-14)10-3-2-4-11(20)7-10/h2-9H,1H3,(H2,21,27)(H,23,28)(H,24,25) |
InChIKey | InChI | 1.03 | KJAPBOGTURWSJN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(C(N)=O)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4cccc(Cl)c4 |
SMILES | CACTVS | 3.385 | Cn1ncc(C(N)=O)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4cccc(Cl)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N)C(=O)Nc2ccc3c(c2)nc([nH]3)c4cccc(c4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N)C(=O)Nc2ccc3c(c2)nc([nH]3)c4cccc(c4)Cl |