5-(4-bromophenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-(4-bromophenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole Openeye Name: 5-(4-bromophenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole CAS Name: 5-(4-bromophenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 5-(4-bromophenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole Traditional Name: 5-(4-bromophenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole Formula: C27H27BrN2O2 MolecularWeight: 491.41948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H27BrN2O2/c1-2-3-4-5-6-19-31-25-17-13-21(14-18-25)20-7-9-22(10-8-20)26-29-27(32-30-26)23-11-15-24(28)16-12-23/h7-18H,2-6,19H2,1H3