N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-butyl-1,2,3,4-tetrazol-5-amine

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-butyl-1,2,3,4-tetrazol-5-amine Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]-1-butyl-tetrazol-5-amine CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-butyl-5-tetrazolamine IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-butyltetrazol-5-amine Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-(1-butyltetrazol-5-yl)amine Formula: C21H26BrN5O2 MolecularWeight: 460.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)NCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OCC

Isomeric SMILES

CCCCN1C(=NN=N1)NCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OCC

InChI

InChI=1S/C21H26BrN5O2/c1-3-5-11-27-21(24-25-26-27)23-14-17-12-18(22)20(19(13-17)28-4-2)29-15-16-9-7-6-8-10-16/h6-10,12-13H,3-5,11,14-15H2,1-2H3,(H,23,24,26)