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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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