Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1nnc(o1)c2ncccc2)CCCCCCc3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(CCCCCCc1ccccc1)c2oc(nn2)c3ccccn3 |
SMILES | CACTVS | 3.370 | O=C(CCCCCCc1ccccc1)c2oc(nn2)c3ccccn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3 |
InChI | InChI | 1.03 | InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2 |
InChIKey | InChI | 1.03 | BYQFWIOGPFHXFV-UHFFFAOYSA-N |