N-[(5-bromanyl-2-propoxy-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

Systemtic Name: N-[(5-bromanyl-2-propoxy-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Openeye Name: N-[(5-bromo-2-propoxy-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine CAS Name: N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine IUPAC Name: N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Traditional Name: (5-bromo-2-propoxy-benzyl)-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amine Formula: C15H21BrN4O MolecularWeight: 353.25744

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)CNC(C)C2=NN=CN2C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)CNC(C)C2=NN=CN2C

InChI

InChI=1S/C15H21BrN4O/c1-4-7-21-14-6-5-13(16)8-12(14)9-17-11(2)15-19-18-10-20(15)3/h5-6,8,10-11,17H,4,7,9H2,1-3H3