Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cccc(c1)c2nc(c(n2)C(=O)N(Cc3ccccc3)C)C(=O)O |
SMILES_CANONICAL | CACTVS | 3.352 | CN(Cc1ccccc1)C(=O)c2[nH]c(nc2C(O)=O)c3cccc(Cl)c3 |
SMILES | CACTVS | 3.352 | CN(Cc1ccccc1)C(=O)c2[nH]c(nc2C(O)=O)c3cccc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H16ClN3O3/c1-23(11-12-6-3-2-4-7-12)18(24)15-16(19(25)26)22-17(21-15)13-8-5-9-14(20)10-13/h2-10H,11H2,1H3,(H,21,22)(H,25,26) |
InChIKey | InChI | 1.03 | BSLQMHNPFUHRKP-UHFFFAOYSA-N |