Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28) |
InChIKey | InChI | 1.03 | PAWIYAYFNXQGAP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=O)NO)c4ccccc14 |
SMILES | CACTVS | 3.385 | Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=O)NO)c4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO |