4-[5-(4-butylphenyl)pyrimidin-2-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[5-(4-butylphenyl)pyrimidin-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[5-(4-butylphenyl)pyrimidin-2-yl]-2-fluoro-benzonitrile CAS Name: 4-[5-(4-butylphenyl)-2-pyrimidinyl]-2-fluorobenzonitrile IUPAC Name: 4-[5-(4-butylphenyl)pyrimidin-2-yl]-2-fluorobenzonitrile Traditional Name: 4-[5-(4-butylphenyl)pyrimidin-2-yl]-2-fluoro-benzonitrile Formula: C21H18FN3 MolecularWeight: 331.386123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3/c1-2-3-4-15-5-7-16(8-6-15)19-13-24-21(25-14-19)17-9-10-18(12-23)20(22)11-17/h5-11,13-14H,2-4H2,1H3