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

Systemtic Name: 3-(4-butylcyclohexyl)-5-[(E)-2-(4-heptylphenyl)ethenyl]-1,2,4-oxadiazole Openeye Name: 3-(4-butylcyclohexyl)-5-[(E)-2-(4-heptylphenyl)vinyl]-1,2,4-oxadiazole CAS Name: 3-(4-butylcyclohexyl)-5-[(E)-2-(4-heptylphenyl)ethenyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-butylcyclohexyl)-5-[(E)-2-(4-heptylphenyl)ethenyl]-1,2,4-oxadiazole Traditional Name: 3-(4-butylcyclohexyl)-5-[(E)-2-(4-heptylphenyl)vinyl]-1,2,4-oxadiazole Formula: C27H40N2O MolecularWeight: 408.6193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O/c1-3-5-7-8-9-11-23-12-14-24(15-13-23)18-21-26-28-27(29-30-26)25-19-16-22(17-20-25)10-6-4-2/h12-15,18,21-22,25H,3-11,16-17,19-20H2,1-2H3/b21-18+