N1-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1,2,3,4-tetrazole-1,5-diamine

Systemtic Name: N1-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1,2,3,4-tetrazole-1,5-diamine Openeye Name: N1-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]tetrazole-1,5-diamine CAS Name: N1-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine IUPAC Name: 1-N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine Traditional Name: (5-aminotetrazol-1-yl)-(4-benzoxy-3-bromo-5-methoxy-benzyl)amine Formula: C16H17BrN6O2 MolecularWeight: 405.24918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C16H17BrN6O2/c1-24-14-8-12(9-19-23-16(18)20-21-22-23)7-13(17)15(14)25-10-11-5-3-2-4-6-11/h2-8,19H,9-10H2,1H3,(H2,18,20,22)