3-(4-bromophenyl)-5-[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-bromophenyl)-5-[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole Openeye Name: 3-(4-bromophenyl)-5-[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole CAS Name: 3-(4-bromophenyl)-5-[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole IUPAC Name: 3-(4-bromophenyl)-5-[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole Traditional Name: 3-(4-bromophenyl)-5-[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole Formula: C21H19BrN4O2 MolecularWeight: 439.30516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=NNC(=C2)C3=NC(=NO3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=NNC(=C2)C3=NC(=NO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4O2/c1-2-3-12-27-19-7-5-4-6-16(19)17-13-18(25-24-17)21-23-20(26-28-21)14-8-10-15(22)11-9-14/h4-11,13H,2-3,12H2,1H3,(H,24,25)