3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-5-chloranyl-N-methyl-2-propyl-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-N-methyl-2-propyl-imidazole-4-carboxamide Openeye Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-5-chloro-N-methyl-2-propyl-imidazole-4-carboxamide CAS Name: 3-[[3-bromo-2-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzofuranyl]methyl]-5-chloro-N-methyl-2-propyl-4-imidazolecarboxamide IUPAC Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-5-chloro-N-methyl-2-propylimidazole-4-carboxamide Traditional Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-5-chloro-N-methyl-2-propyl-imidazole-4-carboxamide Formula: C43H35BrClN7O2 MolecularWeight: 797.1407

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C43H35BrClN7O2/c1-3-15-36-47-40(45)38(42(53)46-2)51(36)27-28-24-25-35-34(26-28)37(44)39(54-35)32-22-13-14-23-33(32)41-48-50-52(49-41)43(29-16-7-4-8-17-29,30-18-9-5-10-19-30)31-20-11-6-12-21-31/h4-14,16-26H,3,15,27H2,1-2H3,(H,46,53)