Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H26N6O2/c1-2-25-18-17(19(27)23-20(25)28)26(11-13-6-5-7-13)16(22-18)10-14-12-24-9-4-3-8-15(24)21-14/h12-13H,2-11H2,1H3,(H,23,27,28) |
InChIKey | InChI | 1.06 | XTQKTGYWGJOGNR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)NC(=O)c2n(CC3CCC3)c(Cc4cn5CCCCc5n4)nc12 |
SMILES | CACTVS | 3.385 | CCN1C(=O)NC(=O)c2n(CC3CCC3)c(Cc4cn5CCCCc5n4)nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)CC5CCC5)C(=O)NC1=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)CC5CCC5)C(=O)NC1=O |