4-methyl-2-[(E)-4-phenylbut-3-en-2-yl]-1H-pyrazol-3-one

Systemtic Name: 4-methyl-2-[(E)-4-phenylbut-3-en-2-yl]-1H-pyrazol-3-one Openeye Name: 4-methyl-2-[(E)-1-methyl-3-phenyl-allyl]-1H-pyrazol-3-one CAS Name: 4-methyl-2-[(E)-4-phenylbut-3-en-2-yl]-1H-pyrazol-3-one IUPAC Name: 4-methyl-2-[(E)-4-phenylbut-3-en-2-yl]-1H-pyrazol-3-one Traditional Name: 4-methyl-2-[(E)-1-methyl-3-phenyl-allyl]-3-pyrazolin-3-one Formula: C14H16N2O MolecularWeight: 228.28964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CNN(C1=O)C(C)C=CC2=CC=CC=C2

Isomeric SMILES

CC1=CNN(C1=O)C(C)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O/c1-11-10-15-16(14(11)17)12(2)8-9-13-6-4-3-5-7-13/h3-10,12,15H,1-2H3/b9-8+