Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc3cc(C#Cc2cccc(C#Cc1cc(cc(Br)c1)CCN)c2)cc(c3)CCN |
InChI | InChI | 1.03 | InChI=1S/C26H22Br2N2/c27-25-15-21(13-23(17-25)8-10-29)6-4-19-2-1-3-20(12-19)5-7-22-14-24(9-11-30)18-26(28)16-22/h1-3,12-18H,8-11,29-30H2 |
InChIKey | InChI | 1.03 | JSVQCKAPBSOZCB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NCCc1cc(Br)cc(c1)C#Cc2cccc(c2)C#Cc3cc(Br)cc(CCN)c3 |
SMILES | CACTVS | 3.370 | NCCc1cc(Br)cc(c1)C#Cc2cccc(c2)C#Cc3cc(Br)cc(CCN)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C#Cc2cc(cc(c2)Br)CCN)C#Cc3cc(cc(c3)Br)CCN |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C#Cc2cc(cc(c2)Br)CCN)C#Cc3cc(cc(c3)Br)CCN |