4-[[4-(5-butylpyrimidin-2-yl)phenyl]methoxy]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[4-(5-butylpyrimidin-2-yl)phenyl]methoxy]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[4-(5-butylpyrimidin-2-yl)phenyl]methoxy]-2-fluoro-benzonitrile CAS Name: 4-[[4-(5-butyl-2-pyrimidinyl)phenyl]methoxy]-2-fluorobenzonitrile IUPAC Name: 4-[[4-(5-butylpyrimidin-2-yl)phenyl]methoxy]-2-fluorobenzonitrile Traditional Name: 4-[4-(5-butylpyrimidin-2-yl)benzyl]oxy-2-fluoro-benzonitrile Formula: C22H20FN3O MolecularWeight: 361.412103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C22H20FN3O/c1-2-3-4-17-13-25-22(26-14-17)18-7-5-16(6-8-18)15-27-20-10-9-19(12-24)21(23)11-20/h5-11,13-14H,2-4,15H2,1H3