2,3-bis(fluoranyl)-4-[[4-(5-heptylpyrimidin-2-yl)phenyl]methoxy]benzenecarbonitrile

Systemtic Name: 2,3-bis(fluoranyl)-4-[[4-(5-heptylpyrimidin-2-yl)phenyl]methoxy]benzenecarbonitrile Openeye Name: 2,3-difluoro-4-[[4-(5-heptylpyrimidin-2-yl)phenyl]methoxy]benzonitrile CAS Name: 2,3-difluoro-4-[[4-(5-heptyl-2-pyrimidinyl)phenyl]methoxy]benzonitrile IUPAC Name: 2,3-difluoro-4-[[4-(5-heptylpyrimidin-2-yl)phenyl]methoxy]benzonitrile Traditional Name: 2,3-difluoro-4-[4-(5-heptylpyrimidin-2-yl)benzyl]oxy-benzonitrile Formula: C25H25F2N3O MolecularWeight: 421.482306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C25H25F2N3O/c1-2-3-4-5-6-7-19-15-29-25(30-16-19)20-10-8-18(9-11-20)17-31-22-13-12-21(14-28)23(26)24(22)27/h8-13,15-16H,2-7,17H2,1H3