2-ethoxy-1-[2-methyl-4-phenyl-3-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-6-(1-propan-2-ylimidazol-4-yl)benzimidazole

Systemtic Name: 2-ethoxy-1-[2-methyl-4-phenyl-3-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-6-(1-propan-2-ylimidazol-4-yl)benzimidazole Openeye Name: 2-ethoxy-6-(1-isopropylimidazol-4-yl)-1-[2-methyl-4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]benzimidazole CAS Name: 2-ethoxy-1-[2-methyl-4-phenyl-3-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-6-(1-propan-2-yl-4-imidazolyl)benzimidazole IUPAC Name: 2-ethoxy-1-[2-methyl-4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]-6-(1-propan-2-ylimidazol-4-yl)benzimidazole Traditional Name: 2-ethoxy-6-(1-isopropylimidazol-4-yl)-1-[2-methyl-4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]benzimidazole Formula: C48H42N8O MolecularWeight: 746.90008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C)C=C(C=C2)C9=CN(C=N9)C(C)C

Isomeric SMILES

CCOC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C)C=C(C=C2)C9=CN(C=N9)C(C)C

InChI

InChI=1S/C48H42N8O/c1-5-57-47-50-41-28-26-36(42-31-54(32-49-42)33(2)3)30-44(41)55(47)43-29-27-40(35-18-10-6-11-19-35)45(34(43)4)46-51-53-56(52-46)48(37-20-12-7-13-21-37,38-22-14-8-15-23-38)39-24-16-9-17-25-39/h6-33H,5H2,1-4H3