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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-propyl-1,2,3,4-tetrazol-5-amine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]-1-propyl-tetrazol-5-amine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-1-propyl-5-tetrazolamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-propyltetrazol-5-amine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(1-propyltetrazol-5-yl)amine Formula: C18H21BrN6O2 MolecularWeight: 433.30234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)NCC2=CC(=C(C(=C2)Br)OCC3=CN=CC=C3)OC

Isomeric SMILES

CCCN1C(=NN=N1)NCC2=CC(=C(C(=C2)Br)OCC3=CN=CC=C3)OC

InChI

InChI=1S/C18H21BrN6O2/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/h4-6,8-10H,3,7,11-12H2,1-2H3,(H,21,22,24)