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

Systemtic Name: 2-fluoranyl-4-[5-(4-nonylphenyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[5-(4-nonylphenyl)pyrimidin-2-yl]benzonitrile CAS Name: 2-fluoro-4-[5-(4-nonylphenyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 2-fluoro-4-[5-(4-nonylphenyl)pyrimidin-2-yl]benzonitrile Traditional Name: 2-fluoro-4-[5-(4-nonylphenyl)pyrimidin-2-yl]benzonitrile Formula: C26H28FN3 MolecularWeight: 401.519023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C26H28FN3/c1-2-3-4-5-6-7-8-9-20-10-12-21(13-11-20)24-18-29-26(30-19-24)22-14-15-23(17-28)25(27)16-22/h10-16,18-19H,2-9H2,1H3