Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H30N6O/c1-3-25(4-2)17-19-8-6-18(7-9-19)16-24-21(28)27-14-12-26(13-15-27)20-22-10-5-11-23-20/h5-11H,3-4,12-17H2,1-2H3,(H,24,28) |
InChIKey | InChI | 1.03 | BZUHDDVBSAICQG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)Cc1ccc(CNC(=O)N2CCN(CC2)c3ncccn3)cc1 |
SMILES | CACTVS | 3.385 | CCN(CC)Cc1ccc(CNC(=O)N2CCN(CC2)c3ncccn3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3 |