5-[3-bromanyl-4-[3-(2-phenylmethoxyphenyl)propyl]phenyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[3-bromanyl-4-[3-(2-phenylmethoxyphenyl)propyl]phenyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[4-[3-(2-benzyloxyphenyl)propyl]-3-bromo-phenyl]-2H-tetrazole CAS Name: 5-[3-bromo-4-[3-(2-phenylmethoxyphenyl)propyl]phenyl]-2H-tetrazole IUPAC Name: 5-[3-bromo-4-[3-(2-phenylmethoxyphenyl)propyl]phenyl]-2H-tetrazole Traditional Name: 5-[4-[3-(2-benzoxyphenyl)propyl]-3-bromo-phenyl]-2H-tetrazole Formula: C23H21BrN4O MolecularWeight: 449.34304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2CCCC3=C(C=C(C=C3)C4=NNN=N4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2CCCC3=C(C=C(C=C3)C4=NNN=N4)Br

InChI

InChI=1S/C23H21BrN4O/c24-21-15-20(23-25-27-28-26-23)14-13-18(21)10-6-11-19-9-4-5-12-22(19)29-16-17-7-2-1-3-8-17/h1-5,7-9,12-15H,6,10-11,16H2,(H,25,26,27,28)