N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

Systemtic Name: N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Openeye Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine CAS Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine IUPAC Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amine Formula: C13H15BrN4O2 MolecularWeight: 339.1878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=CN1C)NCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(C1=NN=CN1C)NCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C13H15BrN4O2/c1-8(13-17-16-6-18(13)2)15-5-9-3-11-12(4-10(9)14)20-7-19-11/h3-4,6,8,15H,5,7H2,1-2H3