(4E)-4-[5-(4-decylphenyl)-1H-pyrimidin-2-ylidene]-2-fluoranyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[5-(4-decylphenyl)-1H-pyrimidin-2-ylidene]-2-fluoranyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[5-(4-decylphenyl)-1H-pyrimidin-2-ylidene]-2-fluoro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[5-(4-decylphenyl)-1H-pyrimidin-2-ylidene]-2-fluoro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[5-(4-decylphenyl)-1H-pyrimidin-2-ylidene]-2-fluorocyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[5-(4-decylphenyl)-1H-pyrimidin-2-ylidene]-2-fluoro-cyclohexa-2,5-dien-1-one Formula: C26H31FN2O MolecularWeight: 406.535543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CNC(=C3C=CC(=O)C(=C3)F)N=C2

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN/C(=C\3/C=CC(=O)C(=C3)F)/N=C2

InChI

InChI=1S/C26H31FN2O/c1-2-3-4-5-6-7-8-9-10-20-11-13-21(14-12-20)23-18-28-26(29-19-23)22-15-16-25(30)24(27)17-22/h11-19,28H,2-10H2,1H3/b26-22+