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

Systemtic Name: 4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoro-benzonitrile CAS Name: 4-[5-(4-decylphenyl)-2-pyrimidinyl]-2-fluorobenzonitrile IUPAC Name: 4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluorobenzonitrile Traditional Name: 4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoro-benzonitrile Formula: C27H30FN3 MolecularWeight: 415.545603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C27H30FN3/c1-2-3-4-5-6-7-8-9-10-21-11-13-22(14-12-21)25-19-30-27(31-20-25)23-15-16-24(18-29)26(28)17-23/h11-17,19-20H,2-10H2,1H3