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

Systemtic Name: 2-fluoranyl-4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 2-fluoro-4-[5-(4-octylcyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 2-fluoro-4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 2-fluoro-4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C25H32FN3 MolecularWeight: 393.540083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C25H32FN3/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)23-17-28-25(29-18-23)21-13-14-22(16-27)24(26)15-21/h13-15,17-20H,2-12H2,1H3