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

Systemtic Name: 2,3-bis(fluoranyl)-4-[[4-(5-heptoxypyrimidin-2-yl)phenyl]methoxy]benzenecarbonitrile Openeye Name: 2,3-difluoro-4-[[4-(5-heptoxypyrimidin-2-yl)phenyl]methoxy]benzonitrile CAS Name: 2,3-difluoro-4-[[4-(5-heptoxy-2-pyrimidinyl)phenyl]methoxy]benzonitrile IUPAC Name: 2,3-difluoro-4-[[4-(5-heptoxypyrimidin-2-yl)phenyl]methoxy]benzonitrile Traditional Name: 2,3-difluoro-4-[4-(5-heptoxypyrimidin-2-yl)benzyl]oxy-benzonitrile Formula: C25H25F2N3O2 MolecularWeight: 437.481706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C25H25F2N3O2/c1-2-3-4-5-6-13-31-21-15-29-25(30-16-21)19-9-7-18(8-10-19)17-32-22-12-11-20(14-28)23(26)24(22)27/h7-12,15-16H,2-6,13,17H2,1H3