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

Systemtic Name: 4-[4-(6-butyl-1-fluoranyl-naphthalen-2-yl)phenyl]-2,6-bis(fluoranyl)benzenecarbonitrile Openeye Name: 4-[4-(6-butyl-1-fluoro-2-naphthyl)phenyl]-2,6-difluoro-benzonitrile CAS Name: 4-[4-(6-butyl-1-fluoro-2-naphthalenyl)phenyl]-2,6-difluorobenzonitrile IUPAC Name: 4-[4-(6-butyl-1-fluoronaphthalen-2-yl)phenyl]-2,6-difluorobenzonitrile Traditional Name: 4-[4-(6-butyl-1-fluoro-2-naphthyl)phenyl]-2,6-difluoro-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)C4=CC(=C(C(=C4)F)C#N)F)F

Isomeric SMILES

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

InChI

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