Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N1=C(OCC1)c3ccc(OCCCCCc2onc(c2)C)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(CCCCCOc2ccc(cc2)C3=NCCO3)on1 |
SMILES | CACTVS | 3.341 | Cc1cc(CCCCCOc2ccc(cc2)C3=NCCO3)on1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NCCO3 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NCCO3 |
InChI | InChI | 1.03 | InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3 |
InChIKey | InChI | 1.03 | IWZDYGHUSXWPPM-UHFFFAOYSA-N |