N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrazol-5-amine

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrazol-5-amine Openeye Name: 1-allyl-N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]tetrazol-5-amine CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-prop-2-enyl-5-tetrazolamine IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine Traditional Name: (1-allyltetrazol-5-yl)-(4-benzoxy-3-bromo-5-methoxy-benzyl)amine Formula: C19H20BrN5O2 MolecularWeight: 430.2984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=NN=NN2CC=C)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=NN=NN2CC=C)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20BrN5O2/c1-3-9-25-19(22-23-24-25)21-12-15-10-16(20)18(17(11-15)26-2)27-13-14-7-5-4-6-8-14/h3-8,10-11H,1,9,12-13H2,2H3,(H,21,22,24)