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

Systemtic Name: (4E)-4-[5-(4-decoxyphenyl)-1H-pyrimidin-2-ylidene]-2-fluoranyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[5-(4-decoxyphenyl)-1H-pyrimidin-2-ylidene]-2-fluoro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[5-(4-decoxyphenyl)-1H-pyrimidin-2-ylidene]-2-fluoro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[5-(4-decoxyphenyl)-1H-pyrimidin-2-ylidene]-2-fluorocyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[5-(4-decoxyphenyl)-1H-pyrimidin-2-ylidene]-2-fluoro-cyclohexa-2,5-dien-1-one Formula: C26H31FN2O2 MolecularWeight: 422.534943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CNC(=C3C=CC(=O)C(=C3)F)N=C2

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CN/C(=C\3/C=CC(=O)C(=C3)F)/N=C2

InChI

InChI=1S/C26H31FN2O2/c1-2-3-4-5-6-7-8-9-16-31-23-13-10-20(11-14-23)22-18-28-26(29-19-22)21-12-15-25(30)24(27)17-21/h10-15,17-19,28H,2-9,16H2,1H3/b26-21+