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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-triazol-4-amine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]-1,2,4-triazol-4-amine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-1,2,4-triazol-4-amine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,4-triazol-4-amine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(1,2,4-triazol-4-yl)amine Formula: C16H16BrN5O2 MolecularWeight: 390.23454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C=NN=C2)Br)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C=NN=C2)Br)OCC3=CN=CC=C3

InChI

InChI=1S/C16H16BrN5O2/c1-23-15-6-13(8-21-22-10-19-20-11-22)5-14(17)16(15)24-9-12-3-2-4-18-7-12/h2-7,10-11,21H,8-9H2,1H3