Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N1=C(OCC1C)c3ccc(OCCCCCCCc2onc(c2)C)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1COC(=N1)c2ccc(OCCCCCCCc3onc(C)c3)cc2 |
SMILES | CACTVS | 3.341 | C[CH]1COC(=N1)c2ccc(OCCCCCCCc3onc(C)c3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@H](CO3)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NC(CO3)C |
InChI | InChI | 1.03 | InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3/t17-/m0/s1 |
InChIKey | InChI | 1.03 | NEAZMARKCJKUMF-KRWDZBQOSA-N |