2-[2,4-bis(fluoranyl)phenyl]-5-[(Z)-heptadec-8-enyl]-4H-pyrazol-3-one

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-5-[(Z)-heptadec-8-enyl]-4H-pyrazol-3-one Openeye Name: 2-(2,4-difluorophenyl)-5-[(Z)-heptadec-8-enyl]-4H-pyrazol-3-one CAS Name: 2-(2,4-difluorophenyl)-5-[(Z)-heptadec-8-enyl]-4H-pyrazol-3-one IUPAC Name: 2-(2,4-difluorophenyl)-5-[(Z)-heptadec-8-enyl]-4H-pyrazol-3-one Traditional Name: 2-(2,4-difluorophenyl)-5-[(Z)-heptadec-8-enyl]-2-pyrazolin-3-one Formula: C26H38F2N2O MolecularWeight: 432.589526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=NN(C(=O)C1)C2=C(C=C(C=C2)F)F

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC1=NN(C(=O)C1)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C26H38F2N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-21-26(31)30(29-23)25-19-18-22(27)20-24(25)28/h9-10,18-20H,2-8,11-17,21H2,1H3/b10-9-