Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc2ccccc2c(c1)CC(=O)NCCCNCCCCNCCCN |
InChI | InChI | 1.03 | InChI=1S/C22H34N4O/c23-12-6-15-24-13-3-4-14-25-16-7-17-26-22(27)18-20-10-5-9-19-8-1-2-11-21(19)20/h1-2,5,8-11,24-25H,3-4,6-7,12-18,23H2,(H,26,27) |
InChIKey | InChI | 1.03 | ZUINPPQIQARTKX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12 |
SMILES | CACTVS | 3.385 | NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN |