3-[4-[2-ethyl-7-methyl-3-[2-methyl-4-phenyl-3-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]benzimidazol-5-yl]imidazol-1-yl]propanamide

Systemtic Name: 3-[4-[2-ethyl-7-methyl-3-[2-methyl-4-phenyl-3-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]benzimidazol-5-yl]imidazol-1-yl]propanamide Openeye Name: 3-[4-[2-ethyl-7-methyl-3-[2-methyl-4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]benzimidazol-5-yl]imidazol-1-yl]propanamide CAS Name: 3-[4-[2-ethyl-7-methyl-3-[2-methyl-4-phenyl-3-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzimidazolyl]-1-imidazolyl]propanamide IUPAC Name: 3-[4-[2-ethyl-7-methyl-3-[2-methyl-4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]benzimidazol-5-yl]imidazol-1-yl]propanamide Traditional Name: 3-[4-[2-ethyl-7-methyl-3-[2-methyl-4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]benzimidazol-5-yl]imidazol-1-yl]propionamide Formula: C49H43N9O MolecularWeight: 773.92542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2N1C3=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)C9=CN(C=N9)CCC(=O)N)C

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2N1C3=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)C9=CN(C=N9)CCC(=O)N)C

InChI

InChI=1S/C49H43N9O/c1-4-45-52-47-33(2)29-36(41-31-56(32-51-41)28-27-44(50)59)30-43(47)57(45)42-26-25-40(35-17-9-5-10-18-35)46(34(42)3)48-53-55-58(54-48)49(37-19-11-6-12-20-37,38-21-13-7-14-22-38)39-23-15-8-16-24-39/h5-26,29-32H,4,27-28H2,1-3H3,(H2,50,59)