Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC(CN2CCN(c1ncccc1)CC2)COc3ccc(cc3)C4CCCCC4 |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](COc1ccc(cc1)C2CCCCC2)CN3CCN(CC3)c4ccccn4 |
SMILES | CACTVS | 3.341 | O[CH](COc1ccc(cc1)C2CCCCC2)CN3CCN(CC3)c4ccccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)N2CCN(CC2)C[C@@H](COc3ccc(cc3)C4CCCCC4)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)N2CCN(CC2)CC(COc3ccc(cc3)C4CCCCC4)O |
InChI | InChI | 1.03 | InChI=1S/C24H33N3O2/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-13-25-24)19-29-23-11-9-21(10-12-23)20-6-2-1-3-7-20/h4-5,8-13,20,22,28H,1-3,6-7,14-19H2/t22-/m0/s1 |
InChIKey | InChI | 1.03 | BZJHCQBNFUNZPJ-QFIPXVFZSA-N |