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

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-propyl-1,2,3,4-tetrazol-5-amine Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]-1-propyl-tetrazol-5-amine CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-propyl-5-tetrazolamine IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-propyltetrazol-5-amine Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-(1-propyltetrazol-5-yl)amine Formula: C20H24BrN5O2 MolecularWeight: 446.34086

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)NCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OCC

Isomeric SMILES

CCCN1C(=NN=N1)NCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OCC

InChI

InChI=1S/C20H24BrN5O2/c1-3-10-26-20(23-24-25-26)22-13-16-11-17(21)19(18(12-16)27-4-2)28-14-15-8-6-5-7-9-15/h5-9,11-12H,3-4,10,13-14H2,1-2H3,(H,22,23,25)