5-[2-[3-bromanyl-5-[[3-butyl-5-(methoxymethyl)-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-[[3-butyl-5-(methoxymethyl)-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-[3-bromo-5-[[3-butyl-5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]benzofuran-2-yl]phenyl]-2H-tetrazole CAS Name: 5-[2-[3-bromo-5-[[3-butyl-5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-4-pyrazolyl]methyl]-2-benzofuranyl]phenyl]-2H-tetrazole IUPAC Name: 5-[2-[3-bromo-5-[[3-butyl-5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-1-benzofuran-2-yl]phenyl]-2H-tetrazole Traditional Name: 5-[2-[3-bromo-5-[[3-butyl-5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]benzofuran-2-yl]phenyl]-2H-tetrazole Formula: C27H26BrF3N6O2 MolecularWeight: 603.43355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26BrF3N6O2/c1-3-4-9-21-19(22(14-38-2)37(34-21)15-27(29,30)31)12-16-10-11-23-20(13-16)24(28)25(39-23)17-7-5-6-8-18(17)26-32-35-36-33-26/h5-8,10-11,13H,3-4,9,12,14-15H2,1-2H3,(H,32,33,35,36)