5-(3-fluoranyl-4-heptyl-phenyl)pyrimidine-2-carbonitrile

Systemtic Name: 5-(3-fluoranyl-4-heptyl-phenyl)pyrimidine-2-carbonitrile Openeye Name: 5-(3-fluoro-4-heptyl-phenyl)pyrimidine-2-carbonitrile CAS Name: 5-(3-fluoro-4-heptylphenyl)-2-pyrimidinecarbonitrile IUPAC Name: 5-(3-fluoro-4-heptylphenyl)pyrimidine-2-carbonitrile Traditional Name: 5-(3-fluoro-4-heptyl-phenyl)pyrimidine-2-carbonitrile Formula: C18H20FN3 MolecularWeight: 297.369903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C2=CN=C(N=C2)C#N)F

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C2=CN=C(N=C2)C#N)F

InChI

InChI=1S/C18H20FN3/c1-2-3-4-5-6-7-14-8-9-15(10-17(14)19)16-12-21-18(11-20)22-13-16/h8-10,12-13H,2-7H2,1H3