2-[4-[(2-bromanyl-5-methyl-phenyl)methoxy]phenyl]-1-cyclohexyl-5-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]benzimidazole

Systemtic Name: 2-[4-[(2-bromanyl-5-methyl-phenyl)methoxy]phenyl]-1-cyclohexyl-5-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]benzimidazole Openeye Name: 2-[4-[(2-bromo-5-methyl-phenyl)methoxy]phenyl]-1-cyclohexyl-5-(2-trityltetrazol-5-yl)benzimidazole CAS Name: 2-[4-[(2-bromo-5-methylphenyl)methoxy]phenyl]-1-cyclohexyl-5-[2-(triphenylmethyl)-5-tetrazolyl]benzimidazole IUPAC Name: 2-[4-[(2-bromo-5-methylphenyl)methoxy]phenyl]-1-cyclohexyl-5-(2-trityltetrazol-5-yl)benzimidazole Traditional Name: 2-[4-(2-bromo-5-methyl-benzyl)oxyphenyl]-1-cyclohexyl-5-(2-trityltetrazol-5-yl)benzimidazole Formula: C47H41BrN6O MolecularWeight: 785.77204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)COC2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C6=NN(N=N6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CC1=CC(=C(C=C1)Br)COC2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C6=NN(N=N6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C47H41BrN6O/c1-33-22-28-42(48)36(30-33)32-55-41-26-23-34(24-27-41)46-49-43-31-35(25-29-44(43)53(46)40-20-12-5-13-21-40)45-50-52-54(51-45)47(37-14-6-2-7-15-37,38-16-8-3-9-17-38)39-18-10-4-11-19-39/h2-4,6-11,14-19,22-31,40H,5,12-13,20-21,32H2,1H3