Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccnc(c1)c4ncc(C(=O)Nc3ccc(N2C(=O)CCC2)cc3)cn4 |
InChI | InChI | 1.03 | InChI=1S/C20H17N5O2/c26-18-5-3-11-25(18)16-8-6-15(7-9-16)24-20(27)14-12-22-19(23-13-14)17-4-1-2-10-21-17/h1-2,4,6-10,12-13H,3,5,11H2,(H,24,27) |
InChIKey | InChI | 1.03 | MYYXEGDPWAHVAZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCCN1c2ccc(NC(=O)c3cnc(nc3)c4ccccn4)cc2 |
SMILES | CACTVS | 3.385 | O=C1CCCN1c2ccc(NC(=O)c3cnc(nc3)c4ccccn4)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O |