4-[6-(4-iodanylphenoxy)hexyl]-3,5-dimethyl-1H-pyrazole

Systemtic Name: 4-[6-(4-iodanylphenoxy)hexyl]-3,5-dimethyl-1H-pyrazole Openeye Name: 4-[6-(4-iodophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole CAS Name: 4-[6-(4-iodophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole IUPAC Name: 4-[6-(4-iodophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole Traditional Name: 4-[6-(4-iodophenoxy)hexyl]-3,5-dimethyl-1H-pyrazole Formula: C17H23IN2O MolecularWeight: 398.28179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CCCCCCOC2=CC=C(C=C2)I

Isomeric SMILES

CC1=C(C(=NN1)C)CCCCCCOC2=CC=C(C=C2)I

InChI

InChI=1S/C17H23IN2O/c1-13-17(14(2)20-19-13)7-5-3-4-6-12-21-16-10-8-15(18)9-11-16/h8-11H,3-7,12H2,1-2H3,(H,19,20)