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

Systemtic Name: (E)-3-(4-tert-butylphenyl)-1-(3,5-dimethylpyrazol-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-tert-butylphenyl)-1-(3,5-dimethylpyrazol-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-tert-butylphenyl)-1-(3,5-dimethyl-1-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(4-tert-butylphenyl)-1-(3,5-dimethylpyrazol-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-tert-butylphenyl)-1-(3,5-dimethylpyrazol-1-yl)prop-2-en-1-one Formula: C18H22N2O MolecularWeight: 282.38008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C=CC2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O/c1-13-12-14(2)20(19-13)17(21)11-8-15-6-9-16(10-7-15)18(3,4)5/h6-12H,1-5H3/b11-8+