4-[4-(6-butyl-1-fluoranyl-naphthalen-2-yl)-2,6-bis(fluoranyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(6-butyl-1-fluoranyl-naphthalen-2-yl)-2,6-bis(fluoranyl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(6-butyl-1-fluoro-2-naphthyl)-2,6-difluoro-phenyl]benzonitrile CAS Name: 4-[4-(6-butyl-1-fluoro-2-naphthalenyl)-2,6-difluorophenyl]benzonitrile IUPAC Name: 4-[4-(6-butyl-1-fluoronaphthalen-2-yl)-2,6-difluorophenyl]benzonitrile Traditional Name: 4-[4-(6-butyl-1-fluoro-2-naphthyl)-2,6-difluoro-phenyl]benzonitrile Formula: C27H20F3N MolecularWeight: 415.44961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C(=C(C=C2)C3=CC(=C(C(=C3)F)C4=CC=C(C=C4)C#N)F)F

Isomeric SMILES

CCCCC1=CC2=C(C=C1)C(=C(C=C2)C3=CC(=C(C(=C3)F)C4=CC=C(C=C4)C#N)F)F

InChI

InChI=1S/C27H20F3N/c1-2-3-4-17-7-11-22-20(13-17)10-12-23(27(22)30)21-14-24(28)26(25(29)15-21)19-8-5-18(16-31)6-9-19/h5-15H,2-4H2,1H3