4-butyl-3-fluoranyl-quinoline-2-carbonitrile

Systemtic Name: 4-butyl-3-fluoranyl-quinoline-2-carbonitrile Openeye Name: 4-butyl-3-fluoro-quinoline-2-carbonitrile CAS Name: 4-butyl-3-fluoro-2-quinolinecarbonitrile IUPAC Name: 4-butyl-3-fluoroquinoline-2-carbonitrile Traditional Name: 4-butyl-3-fluoro-quinaldonitrile Formula: C14H13FN2 MolecularWeight: 228.264823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC2=CC=CC=C21)C#N)F

Isomeric SMILES

CCCCC1=C(C(=NC2=CC=CC=C21)C#N)F

InChI

InChI=1S/C14H13FN2/c1-2-3-6-11-10-7-4-5-8-12(10)17-13(9-16)14(11)15/h4-5,7-8H,2-3,6H2,1H3