Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)CCC(=O)Nc1[NH]nc(c2ccncc2)c1C |
InChI | InChI | 1.03 | InChI=1S/C18H17ClN4O/c1-12-17(14-8-10-20-11-9-14)22-23-18(12)21-16(24)7-4-13-2-5-15(19)6-3-13/h2-3,5-6,8-11H,4,7H2,1H3,(H2,21,22,23,24) |
InChIKey | InChI | 1.03 | YPBDFUFBFVQJPF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c([nH]nc1c2ccncc2)NC(=O)CCc3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | Cc1c([nH]nc1c2ccncc2)NC(=O)CCc3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(n[nH]c1NC(=O)CCc2ccc(cc2)Cl)c3ccncc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(n[nH]c1NC(=O)CCc2ccc(cc2)Cl)c3ccncc3 |