(E)-1-(1,3-dimethylpyrazol-4-yl)-3-[3-(2-methylpropoxy)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-dimethylpyrazol-4-yl)-3-[3-(2-methylpropoxy)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(1,3-dimethylpyrazol-4-yl)-3-(3-isobutoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-dimethyl-4-pyrazolyl)-3-[3-(2-methylpropoxy)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(1,3-dimethylpyrazol-4-yl)-3-[3-(2-methylpropoxy)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(1,3-dimethylpyrazol-4-yl)-3-(3-isobutoxyphenyl)prop-2-en-1-one Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)C=CC2=CC(=CC=C2)OCC(C)C)C

Isomeric SMILES

CC1=NN(C=C1C(=O)/C=C/C2=CC(=CC=C2)OCC(C)C)C

InChI

InChI=1S/C18H22N2O2/c1-13(2)12-22-16-7-5-6-15(10-16)8-9-18(21)17-11-20(4)19-14(17)3/h5-11,13H,12H2,1-4H3/b9-8+