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

Systemtic Name: (E)-3-(4-tert-butylphenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-tert-butylphenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-(4-tert-butylphenyl)-1-(1-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(4-tert-butylphenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-tert-butylphenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Formula: C17H20N2O MolecularWeight: 268.3535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)C2=NN(C=C2)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)C2=NN(C=C2)C

InChI

InChI=1S/C17H20N2O/c1-17(2,3)14-8-5-13(6-9-14)7-10-16(20)15-11-12-19(4)18-15/h5-12H,1-4H3/b10-7+