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

Systemtic Name: N1-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,2,3,4-tetrazole-1,5-diamine Openeye Name: N1-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]tetrazole-1,5-diamine CAS Name: N1-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine IUPAC Name: 1-N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine Traditional Name: (5-aminotetrazol-1-yl)-(4-benzoxy-3-bromo-5-ethoxy-benzyl)amine Formula: C17H19BrN6O2 MolecularWeight: 419.27576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C17H19BrN6O2/c1-2-25-15-9-13(10-20-24-17(19)21-22-23-24)8-14(18)16(15)26-11-12-6-4-3-5-7-12/h3-9,20H,2,10-11H2,1H3,(H2,19,21,23)