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

Systemtic Name: 5-(3-fluoranyl-4-hexyl-phenyl)pyrimidine-2-carbonitrile Openeye Name: 5-(3-fluoro-4-hexyl-phenyl)pyrimidine-2-carbonitrile CAS Name: 5-(3-fluoro-4-hexylphenyl)-2-pyrimidinecarbonitrile IUPAC Name: 5-(3-fluoro-4-hexylphenyl)pyrimidine-2-carbonitrile Traditional Name: 5-(3-fluoro-4-hexyl-phenyl)pyrimidine-2-carbonitrile Formula: C17H18FN3 MolecularWeight: 283.343323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C2=CN=C(N=C2)C#N)F

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C2=CN=C(N=C2)C#N)F

InChI

InChI=1S/C17H18FN3/c1-2-3-4-5-6-13-7-8-14(9-16(13)18)15-11-20-17(10-19)21-12-15/h7-9,11-12H,2-6H2,1H3