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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-butyl-1,2,3,4-tetrazol-5-amine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]-1-butyl-tetrazol-5-amine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-1-butyl-5-tetrazolamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-butyltetrazol-5-amine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(1-butyltetrazol-5-yl)amine Formula: C19H23BrN6O2 MolecularWeight: 447.32892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)NCC2=CC(=C(C(=C2)Br)OCC3=CN=CC=C3)OC

Isomeric SMILES

CCCCN1C(=NN=N1)NCC2=CC(=C(C(=C2)Br)OCC3=CN=CC=C3)OC

InChI

InChI=1S/C19H23BrN6O2/c1-3-4-8-26-19(23-24-25-26)22-12-15-9-16(20)18(17(10-15)27-2)28-13-14-6-5-7-21-11-14/h5-7,9-11H,3-4,8,12-13H2,1-2H3,(H,22,23,25)