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]-2-(triphenylmethyl)-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]-2-(triphenylmethyl)-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]-2-trityl-tetrazole CAS Name: 5-[2-[3-bromo-5-[[3-butyl-5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-4-pyrazolyl]methyl]-2-benzofuranyl]phenyl]-2-(triphenylmethyl)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]-2-trityltetrazole Traditional Name: 5-[2-[3-bromo-5-[[3-butyl-5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]benzofuran-2-yl]phenyl]-2-trityl-tetrazole Formula: C46H40BrF3N6O2 MolecularWeight: 845.74801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)COC)CC(F)(F)F

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)COC)CC(F)(F)F

InChI

InChI=1S/C46H40BrF3N6O2/c1-3-4-24-39-37(40(29-57-2)55(52-39)30-45(48,49)50)27-31-25-26-41-38(28-31)42(47)43(58-41)35-22-14-15-23-36(35)44-51-54-56(53-44)46(32-16-8-5-9-17-32,33-18-10-6-11-19-33)34-20-12-7-13-21-34/h5-23,25-26,28H,3-4,24,27,29-30H2,1-2H3