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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enyl-1,2,3,4-tetrazol-5-amine Openeye Name: 1-allyl-N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]tetrazol-5-amine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-1-prop-2-enyl-5-tetrazolamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine Traditional Name: (1-allyltetrazol-5-yl)-[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]amine Formula: C18H19BrN6O2 MolecularWeight: 431.28646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN6O2/c1-3-7-25-18(22-23-24-25)21-11-14-8-15(19)17(16(9-14)26-2)27-12-13-5-4-6-20-10-13/h3-6,8-10H,1,7,11-12H2,2H3,(H,21,22,24)