(4E)-4-(6-decan-5-yl-1H-pyrimidin-2-ylidene)-2-fluoranyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-(6-decan-5-yl-1H-pyrimidin-2-ylidene)-2-fluoranyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[6-(1-butylhexyl)-1H-pyrimidin-2-ylidene]-2-fluoro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-(6-decan-5-yl-1H-pyrimidin-2-ylidene)-2-fluoro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-(6-decan-5-yl-1H-pyrimidin-2-ylidene)-2-fluorocyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[6-(1-butylhexyl)-1H-pyrimidin-2-ylidene]-2-fluoro-cyclohexa-2,5-dien-1-one Formula: C20H27FN2O MolecularWeight: 330.439583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)C1=CC=NC(=C2C=CC(=O)C(=C2)F)N1

Isomeric SMILES

CCCCCC(CCCC)C1=CC=N/C(=C/2\C=CC(=O)C(=C2)F)/N1

InChI

InChI=1S/C20H27FN2O/c1-3-5-7-9-15(8-6-4-2)18-12-13-22-20(23-18)16-10-11-19(24)17(21)14-16/h10-15,23H,3-9H2,1-2H3/b20-16-