4-[(E)-but-2-enoyl]-2-phenyl-5-prop-1-en-2-yl-1H-pyrazol-3-one

Systemtic Name: 4-[(E)-but-2-enoyl]-2-phenyl-5-prop-1-en-2-yl-1H-pyrazol-3-one Openeye Name: 4-[(E)-but-2-enoyl]-5-isopropenyl-2-phenyl-1H-pyrazol-3-one CAS Name: 5-(1-methylethenyl)-4-[(E)-1-oxobut-2-enyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(E)-but-2-enoyl]-2-phenyl-5-prop-1-en-2-yl-1H-pyrazol-3-one Traditional Name: 4-[(E)-but-2-enoyl]-5-isopropenyl-2-phenyl-3-pyrazolin-3-one Formula: C16H16N2O2 MolecularWeight: 268.31044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2/c1-4-8-13(19)14-15(11(2)3)17-18(16(14)20)12-9-6-5-7-10-12/h4-10,17H,2H2,1,3H3/b8-4+