1-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-ethyl-hexan-1-one

Systemtic Name: 1-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-ethyl-hexan-1-one CAS Name: 1-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-2-ethyl-1-hexanone IUPAC Name: 1-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidino]-2-ethyl-hexan-1-one Formula: C21H28BrN3O2 MolecularWeight: 434.36992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC(CC)C(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H28BrN3O2/c1-3-5-7-15(4-2)21(26)25-13-6-8-17(14-25)20-23-19(24-27-20)16-9-11-18(22)12-10-16/h9-12,15,17H,3-8,13-14H2,1-2H3