4-[(1E,4E)-deca-1,4-dienyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(1E,4E)-deca-1,4-dienyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(1E,4E)-deca-1,4-dienyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(1E,4E)-deca-1,4-dienyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(1E,4E)-deca-1,4-dienyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(1E,4E)-deca-1,4-dienyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C21H28N2O MolecularWeight: 324.45982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCCC/C=C/C/C=C/C1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C21H28N2O/c1-4-5-6-7-8-9-10-14-17-20-18(2)22(3)23(21(20)24)19-15-12-11-13-16-19/h8-9,11-17H,4-7,10H2,1-3H3/b9-8+,17-14+