4-[3-[7-butyl-3,4-bis(fluoranyl)naphthalen-1-yl]phenyl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[3-[7-butyl-3,4-bis(fluoranyl)naphthalen-1-yl]phenyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[3-(7-butyl-3,4-difluoro-1-naphthyl)phenyl]-2-fluoro-benzonitrile CAS Name: 4-[3-(7-butyl-3,4-difluoro-1-naphthalenyl)phenyl]-2-fluorobenzonitrile IUPAC Name: 4-[3-(7-butyl-3,4-difluoronaphthalen-1-yl)phenyl]-2-fluorobenzonitrile Traditional Name: 4-[3-(7-butyl-3,4-difluoro-1-naphthyl)phenyl]-2-fluoro-benzonitrile Formula: C27H20F3N MolecularWeight: 415.44961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C(=C(C=C2C3=CC=CC(=C3)C4=CC(=C(C=C4)C#N)F)F)F

Isomeric SMILES

CCCCC1=CC2=C(C=C1)C(=C(C=C2C3=CC=CC(=C3)C4=CC(=C(C=C4)C#N)F)F)F

InChI

InChI=1S/C27H20F3N/c1-2-3-5-17-8-11-22-24(12-17)23(15-26(29)27(22)30)20-7-4-6-18(13-20)19-9-10-21(16-31)25(28)14-19/h4,6-15H,2-3,5H2,1H3