Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(c(Cl)cc(c1)c2c(C)nnc2C)Nc3ccccc3C(NO)=O)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H16Cl2N4O2/c1-9-16(10(2)23-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(25)24-26/h3-8,21,26H,1-2H3,(H,22,23)(H,24,25) |
InChIKey | InChI | 1.03 | UMQKDDMRCQAIGA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nc(C)c1c2cc(Cl)c(Nc3ccccc3C(=O)NO)c(Cl)c2 |
SMILES | CACTVS | 3.385 | Cc1[nH]nc(C)c1c2cc(Cl)c(Nc3ccccc3C(=O)NO)c(Cl)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n[nH]1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)NO)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n[nH]1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)NO)Cl |