1-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-imidazole-4-carbaldehyde

Systemtic Name: 1-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-imidazole-4-carbaldehyde Openeye Name: 1-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-2-butyl-imidazole-4-carbaldehyde CAS Name: 1-[[3-bromo-2-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzofuranyl]methyl]-2-butyl-4-imidazolecarboxaldehyde IUPAC Name: 1-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butylimidazole-4-carbaldehyde Traditional Name: 1-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-2-butyl-imidazole-4-carbaldehyde Formula: C43H35BrN6O2 MolecularWeight: 747.681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=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)C=O

Isomeric SMILES

CCCCC1=NC(=CN1CC2=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)C=O

InChI

InChI=1S/C43H35BrN6O2/c1-2-3-23-39-45-34(29-51)28-49(39)27-30-24-25-38-37(26-30)40(44)41(52-38)35-21-13-14-22-36(35)42-46-48-50(47-42)43(31-15-7-4-8-16-31,32-17-9-5-10-18-32)33-19-11-6-12-20-33/h4-22,24-26,28-29H,2-3,23,27H2,1H3