(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one Openeye Name: (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one CAS Name: (E)-3-(1,5-dimethyl-4-pyrazolyl)-1-(4-iodophenyl)-2-propen-1-one IUPAC Name: (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one Traditional Name: (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(4-iodophenyl)prop-2-en-1-one Formula: C14H13IN2O MolecularWeight: 352.17029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C=CC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC1=C(C=NN1C)/C=C/C(=O)C2=CC=C(C=C2)I

InChI

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