1-[5-(2-iodanylphenoxy)-1,3-dimethyl-pyrazol-4-yl]-N-methyl-methanamine

Systemtic Name: 1-[5-(2-iodanylphenoxy)-1,3-dimethyl-pyrazol-4-yl]-N-methyl-methanamine Openeye Name: 1-[5-(2-iodophenoxy)-1,3-dimethyl-pyrazol-4-yl]-N-methyl-methanamine CAS Name: 1-[5-(2-iodophenoxy)-1,3-dimethyl-4-pyrazolyl]-N-methylmethanamine IUPAC Name: 1-[5-(2-iodophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine Traditional Name: [5-(2-iodophenoxy)-1,3-dimethyl-pyrazol-4-yl]methyl-methyl-amine Formula: C13H16IN3O MolecularWeight: 357.19011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNC)OC2=CC=CC=C2I)C

Isomeric SMILES

CC1=NN(C(=C1CNC)OC2=CC=CC=C2I)C

InChI

InChI=1S/C13H16IN3O/c1-9-10(8-15-2)13(17(3)16-9)18-12-7-5-4-6-11(12)14/h4-7,15H,8H2,1-3H3