Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC4(C#Cc1ccc(OCCCOC)nc1Cc2ccccc2)C3CCN(CC3)C4 |
InChI | InChI | 1.03 | InChI=1S/C25H30N2O3/c1-29-16-5-17-30-24-9-8-21(23(26-24)18-20-6-3-2-4-7-20)10-13-25(28)19-27-14-11-22(25)12-15-27/h2-4,6-9,22,28H,5,11-12,14-19H2,1H3/t25-/m1/s1 |
InChIKey | InChI | 1.03 | HVIKCINYHLGLMN-RUZDIDTESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COCCCOc1ccc(C#C[C@@]2(O)CN3CCC2CC3)c(Cc4ccccc4)n1 |
SMILES | CACTVS | 3.370 | COCCCOc1ccc(C#C[C]2(O)CN3CCC2CC3)c(Cc4ccccc4)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O |
SMILES | OpenEye OEToolkits | 1.7.6 | COCCCOc1ccc(c(n1)Cc2ccccc2)C#CC3(CN4CCC3CC4)O |