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

Systemtic Name: [4-[[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-5-butyl-2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methanol Openeye Name: [4-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-5-butyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol CAS Name: [4-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]methyl]-5-butyl-2-(2,2,2-trifluoroethyl)-3-pyrazolyl]methanol IUPAC Name: [4-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-5-butyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol Traditional Name: [4-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-5-butyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol Formula: C26H24BrF3N6O2 MolecularWeight: 589.40697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5)CO)CC(F)(F)F

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5)CO)CC(F)(F)F

InChI

InChI=1S/C26H24BrF3N6O2/c1-2-3-8-20-18(21(13-37)36(33-20)14-26(28,29)30)11-15-9-10-22-19(12-15)23(27)24(38-22)16-6-4-5-7-17(16)25-31-34-35-32-25/h4-7,9-10,12,37H,2-3,8,11,13-14H2,1H3,(H,31,32,34,35)