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

Systemtic Name: [5-(2-iodanylphenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine Openeye Name: [5-(2-iodophenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine CAS Name: [5-(2-iodophenoxy)-1,3-dimethyl-4-pyrazolyl]methanamine IUPAC Name: [5-(2-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine Traditional Name: [5-(2-iodophenoxy)-1,3-dimethyl-pyrazol-4-yl]methylamine Formula: C12H14IN3O MolecularWeight: 343.16353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN)OC2=CC=CC=C2I)C

Isomeric SMILES

CC1=NN(C(=C1CN)OC2=CC=CC=C2I)C

InChI

InChI=1S/C12H14IN3O/c1-8-9(7-14)12(16(2)15-8)17-11-6-4-3-5-10(11)13/h3-6H,7,14H2,1-2H3