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

Systemtic Name: 4-[(E)-but-2-enoyl]-5-[(E)-but-2-en-2-yl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(E)-but-2-enoyl]-5-[(E)-1-methylprop-1-enyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-[(E)-but-2-en-2-yl]-4-[(E)-1-oxobut-2-enyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(E)-but-2-enoyl]-5-[(E)-but-2-en-2-yl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(E)-but-2-enoyl]-5-[(E)-1-methylprop-1-enyl]-2-phenyl-3-pyrazolin-3-one Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2/c1-4-9-14(20)15-16(12(3)5-2)18-19(17(15)21)13-10-7-6-8-11-13/h4-11,18H,1-3H3/b9-4+,12-5+