5-[(E)-2-(4-heptylphenyl)ethenyl]-3-(4-hexylcyclohexyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(E)-2-(4-heptylphenyl)ethenyl]-3-(4-hexylcyclohexyl)-1,2,4-oxadiazole Openeye Name: 5-[(E)-2-(4-heptylphenyl)vinyl]-3-(4-hexylcyclohexyl)-1,2,4-oxadiazole CAS Name: 5-[(E)-2-(4-heptylphenyl)ethenyl]-3-(4-hexylcyclohexyl)-1,2,4-oxadiazole IUPAC Name: 5-[(E)-2-(4-heptylphenyl)ethenyl]-3-(4-hexylcyclohexyl)-1,2,4-oxadiazole Traditional Name: 5-[(E)-2-(4-heptylphenyl)vinyl]-3-(4-hexylcyclohexyl)-1,2,4-oxadiazole Formula: C29H44N2O MolecularWeight: 436.67246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C=CC2=NC(=NO2)C3CCC(CC3)CCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)/C=C/C2=NC(=NO2)C3CCC(CC3)CCCCCC

InChI

InChI=1S/C29H44N2O/c1-3-5-7-9-11-13-24-14-16-26(17-15-24)20-23-28-30-29(31-32-28)27-21-18-25(19-22-27)12-10-8-6-4-2/h14-17,20,23,25,27H,3-13,18-19,21-22H2,1-2H3/b23-20+