5-(3-bromophenyl)-1-[3-(2-phenylmethoxyphenyl)propyl]-1,2,3,4-tetrazole

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2CCCN3C(=NN=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2CCCN3C(=NN=N3)C4=CC(=CC=C4)Br

InChI

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