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

Systemtic Name: (E)-3-(4-tert-butylphenyl)-1-pyrazol-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(4-tert-butylphenyl)-1-pyrazol-1-yl-prop-2-en-1-one CAS Name: (E)-3-(4-tert-butylphenyl)-1-(1-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(4-tert-butylphenyl)-1-pyrazol-1-ylprop-2-en-1-one Traditional Name: (E)-3-(4-tert-butylphenyl)-1-pyrazol-1-yl-prop-2-en-1-one Formula: C16H18N2O MolecularWeight: 254.32692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)N2C=CC=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)N2C=CC=N2

InChI

InChI=1S/C16H18N2O/c1-16(2,3)14-8-5-13(6-9-14)7-10-15(19)18-12-4-11-17-18/h4-12H,1-3H3/b10-7+