(E)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one CAS Name: (E)-3-(1-ethyl-3,5-dimethyl-4-pyrazolyl)-1-(4-iodophenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one Formula: C16H17IN2O MolecularWeight: 380.22345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17IN2O/c1-4-19-12(3)15(11(2)18-19)9-10-16(20)13-5-7-14(17)8-6-13/h5-10H,4H2,1-3H3/b10-9+