Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(CC(OCC)=O)C(NCc1cc(ccc1)c2ccncc2)=O |
InChI | InChI | 1.03 | InChI=1S/C17H19N3O3/c1-2-23-16(21)12-20-17(22)19-11-13-4-3-5-15(10-13)14-6-8-18-9-7-14/h3-10H,2,11-12H2,1H3,(H2,19,20,22) |
InChIKey | InChI | 1.03 | RQULFHOUPQXHRG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2 |
SMILES | CACTVS | 3.385 | CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2 |
SMILES | OpenEye OEToolkits | 1.9.2 | CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2 |