| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C33H40N6O/c40-33(35-13-7-16-37-14-5-6-15-37)28-22-27(23-34-24-28)30-9-2-4-11-32(30)39-20-18-38(19-21-39)17-12-26-25-36-31-10-3-1-8-29(26)31/h1-4,8-11,22-25,36H,5-7,12-21H2,(H,35,40) |
| InChIKey | InChI | 1.03 | VCPDGNYFXJYJFB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCCN1CCCC1)c2cncc(c2)c3ccccc3N4CCN(CC4)CCc5c[nH]c6ccccc56 |
| SMILES | CACTVS | 3.385 | O=C(NCCCN1CCCC1)c2cncc(c2)c3ccccc3N4CCN(CC4)CCc5c[nH]c6ccccc56 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc2c(c1)c(c[nH]2)CCN3CCN(CC3)c4ccccc4c5cc(cnc5)C(=O)NCCCN6CCCC6 |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc2c(c1)c(c[nH]2)CCN3CCN(CC3)c4ccccc4c5cc(cnc5)C(=O)NCCCN6CCCC6 |
