[2-(diethylamino)-2-oxidanylidene-ethyl] 3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-3H-1-benzofuran-2-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-3H-1-benzofuran-2-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-3H-benzofuran-2-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylate CAS Name: 3-[[3-bromo-2-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-3H-benzofuran-2-yl]methyl]-2-ethyl-5-methyl-4-imidazolecarboxylic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-3H-1-benzofuran-2-yl]methyl]-2-ethyl-5-methylimidazole-4-carboxylate Traditional Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]coumaran-2-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C48H46BrN7O4 MolecularWeight: 864.82734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2(C(C3=CC=CC=C3O2)Br)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OCC(=O)N(CC)CC)C

Isomeric SMILES

CCC1=NC(=C(N1CC2(C(C3=CC=CC=C3O2)Br)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OCC(=O)N(CC)CC)C

InChI

InChI=1S/C48H46BrN7O4/c1-5-41-50-33(4)43(46(58)59-31-42(57)54(6-2)7-3)55(41)32-47(44(49)38-28-18-20-30-40(38)60-47)39-29-19-17-27-37(39)45-51-53-56(52-45)48(34-21-11-8-12-22-34,35-23-13-9-14-24-35)36-25-15-10-16-26-36/h8-30,44H,5-7,31-32H2,1-4H3