5-[4-[3-fluoranyl-4-[(E)-6-oxidanylhept-1-enyl]phenyl]phenyl]-1H-pyrimidin-2-one

Systemtic Name: 5-[4-[3-fluoranyl-4-[(E)-6-oxidanylhept-1-enyl]phenyl]phenyl]-1H-pyrimidin-2-one Openeye Name: 5-[4-[3-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]phenyl]-1H-pyrimidin-2-one CAS Name: 5-[4-[3-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]phenyl]-1H-pyrimidin-2-one IUPAC Name: 5-[4-[3-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]phenyl]-1H-pyrimidin-2-one Traditional Name: 5-[4-[3-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]phenyl]-1H-pyrimidin-2-one Formula: C23H23FN2O2 MolecularWeight: 378.439323

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=CC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=CNC(=O)N=C3)F)O

Isomeric SMILES

CC(CCC/C=C/C1=C(C=C(C=C1)C2=CC=C(C=C2)C3=CNC(=O)N=C3)F)O

InChI

InChI=1S/C23H23FN2O2/c1-16(27)5-3-2-4-6-19-11-12-20(13-22(19)24)17-7-9-18(10-8-17)21-14-25-23(28)26-15-21/h4,6-16,27H,2-3,5H2,1H3,(H,25,26,28)/b6-4+