[3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazol-4-yl]methanol

Systemtic Name: [3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazol-4-yl]methanol Openeye Name: [3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazol-4-yl]methanol CAS Name: [3-[[3-bromo-2-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzofuranyl]methyl]-2-butyl-5-chloro-4-imidazolyl]methanol IUPAC Name: [3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazol-4-yl]methanol Traditional Name: [3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazol-4-yl]methanol Formula: C43H36BrClN6O2 MolecularWeight: 784.14194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=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)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=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)CO)Cl

InChI

InChI=1S/C43H36BrClN6O2/c1-2-3-23-38-46-41(45)36(28-52)50(38)27-29-24-25-37-35(26-29)39(44)40(53-37)33-21-13-14-22-34(33)42-47-49-51(48-42)43(30-15-7-4-8-16-30,31-17-9-5-10-18-31)32-19-11-6-12-20-32/h4-22,24-26,52H,2-3,23,27-28H2,1H3