N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-1H-pyrazol-4-amine

Systemtic Name: N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-1H-pyrazol-4-amine Openeye Name: N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-1H-pyrazol-4-amine CAS Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1H-pyrazol-4-amine IUPAC Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1H-pyrazol-4-amine Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-(1H-pyrazol-4-yl)amine Formula: C12H14BrN3O2 MolecularWeight: 312.16246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CNN=C2)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CNN=C2)Br)OC

InChI

InChI=1S/C12H14BrN3O2/c1-17-11-4-8(3-10(13)12(11)18-2)5-14-9-6-15-16-7-9/h3-4,6-7,14H,5H2,1-2H3,(H,15,16)