Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N1=C(OCC1C)c3ccc(OCCCCCc2onc(c2)C)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1COC(=N1)c2ccc(OCCCCCc3onc(C)c3)cc2 |
SMILES | CACTVS | 3.341 | C[CH]1COC(=N1)c2ccc(OCCCCCc3onc(C)c3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCCCOc2ccc(cc2)C3=N[C@H](CO3)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NC(CO3)C |
InChI | InChI | 1.03 | InChI=1S/C19H24N2O3/c1-14-12-18(24-21-14)6-4-3-5-11-22-17-9-7-16(8-10-17)19-20-15(2)13-23-19/h7-10,12,15H,3-6,11,13H2,1-2H3/t15-/m0/s1 |
InChIKey | InChI | 1.03 | UXIYKMARWUSIKU-HNNXBMFYSA-N |