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

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Openeye Name: N-[(3-bromo-4-methoxy-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine CAS Name: N-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine IUPAC Name: N-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Traditional Name: (3-bromo-4-methoxy-benzyl)-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amine Formula: C13H17BrN4O MolecularWeight: 325.20428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=CN1C)NCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC(C1=NN=CN1C)NCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C13H17BrN4O/c1-9(13-17-16-8-18(13)2)15-7-10-4-5-12(19-3)11(14)6-10/h4-6,8-9,15H,7H2,1-3H3