5-[2-[3-bromanyl-5-[[5-butyl-3-(phenylmethoxymethyl)-1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-4-yl]methyl]-1-benzofuran-2-yl]phenyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[2-[3-bromanyl-5-[[5-butyl-3-(phenylmethoxymethyl)-1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-4-yl]methyl]-1-benzofuran-2-yl]phenyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[2-[5-[[3-(benzyloxymethyl)-5-butyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-bromo-benzofuran-2-yl]phenyl]-2H-tetrazole CAS Name: 5-[2-[3-bromo-5-[[5-butyl-3-(phenylmethoxymethyl)-1-(2,2,2-trifluoroethyl)-4-pyrazolyl]methyl]-2-benzofuranyl]phenyl]-2H-tetrazole IUPAC Name: 5-[2-[3-bromo-5-[[5-butyl-3-(phenylmethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-1-benzofuran-2-yl]phenyl]-2H-tetrazole Traditional Name: 5-[2-[5-[[3-(benzoxymethyl)-5-butyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-bromo-benzofuran-2-yl]phenyl]-2H-tetrazole Formula: C33H30BrF3N6O2 MolecularWeight: 679.52951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NN1CC(F)(F)F)COCC2=CC=CC=C2)CC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C6=NNN=N6

Isomeric SMILES

CCCCC1=C(C(=NN1CC(F)(F)F)COCC2=CC=CC=C2)CC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C6=NNN=N6

InChI

InChI=1S/C33H30BrF3N6O2/c1-2-3-13-28-25(27(40-43(28)20-33(35,36)37)19-44-18-21-9-5-4-6-10-21)16-22-14-15-29-26(17-22)30(34)31(45-29)23-11-7-8-12-24(23)32-38-41-42-39-32/h4-12,14-15,17H,2-3,13,16,18-20H2,1H3,(H,38,39,41,42)