3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-5-chloranyl-2-ethyl-N-methyl-imidazole-4-carboxamide

Systemtic Name: 3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-5-chloranyl-2-ethyl-N-methyl-imidazole-4-carboxamide Openeye Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-5-chloro-2-ethyl-N-methyl-imidazole-4-carboxamide CAS Name: 3-[[3-bromo-2-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzofuranyl]methyl]-5-chloro-2-ethyl-N-methyl-4-imidazolecarboxamide IUPAC Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-5-chloro-2-ethyl-N-methylimidazole-4-carboxamide Traditional Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-5-chloro-2-ethyl-N-methyl-imidazole-4-carboxamide Formula: C42H33BrClN7O2 MolecularWeight: 783.11412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=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)NC)Cl

Isomeric SMILES

CCC1=NC(=C(N1CC2=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)NC)Cl

InChI

InChI=1S/C42H33BrClN7O2/c1-3-35-46-39(44)37(41(52)45-2)50(35)26-27-23-24-34-33(25-27)36(43)38(53-34)31-21-13-14-22-32(31)40-47-49-51(48-40)42(28-15-7-4-8-16-28,29-17-9-5-10-18-29)30-19-11-6-12-20-30/h4-25H,3,26H2,1-2H3,(H,45,52)