(E)-3-(1-ethylpyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-ethylpyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-ethylpyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one CAS Name: (E)-3-(1-ethyl-4-pyrazolyl)-1-(4-iodophenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-ethylpyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-ethylpyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one Formula: C14H13IN2O MolecularWeight: 352.17029

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C=CC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CCN1C=C(C=N1)/C=C/C(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C14H13IN2O/c1-2-17-10-11(9-16-17)3-8-14(18)12-4-6-13(15)7-5-12/h3-10H,2H2,1H3/b8-3+