2-(2-fluoranylhexanoyl)-4-(5-octyl-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2-(2-fluoranylhexanoyl)-4-(5-octyl-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-(2-fluorohexanoyl)-4-(5-octyl-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-(2-fluoro-1-oxohexyl)-4-(5-octyl-1H-pyridin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-(2-fluorohexanoyl)-4-(5-octyl-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-(2-fluorohexanoyl)-4-(5-octyl-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C25H34FNO2 MolecularWeight: 399.541363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CNC(=C2C=CC(=O)C(=C2)C(=O)C(CCCC)F)C=C1

Isomeric SMILES

CCCCCCCCC1=CNC(=C2C=CC(=O)C(=C2)C(=O)C(CCCC)F)C=C1

InChI

InChI=1S/C25H34FNO2/c1-3-5-7-8-9-10-11-19-13-15-23(27-18-19)20-14-16-24(28)21(17-20)25(29)22(26)12-6-4-2/h13-18,22,27H,3-12H2,1-2H3