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

Systemtic Name: 4-[3-[3,4-bis(fluoranyl)-7-pentyl-naphthalen-1-yl]phenyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[3-(3,4-difluoro-7-pentyl-1-naphthyl)phenyl]-2-fluoro-benzonitrile CAS Name: 4-[3-(3,4-difluoro-7-pentyl-1-naphthalenyl)phenyl]-2-fluorobenzonitrile IUPAC Name: 4-[3-(3,4-difluoro-7-pentylnaphthalen-1-yl)phenyl]-2-fluorobenzonitrile Traditional Name: 4-[3-(7-amyl-3,4-difluoro-1-naphthyl)phenyl]-2-fluoro-benzonitrile Formula: C28H22F3N MolecularWeight: 429.47619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C1)C(=C(C=C2C3=CC=CC(=C3)C4=CC(=C(C=C4)C#N)F)F)F

Isomeric SMILES

CCCCCC1=CC2=C(C=C1)C(=C(C=C2C3=CC=CC(=C3)C4=CC(=C(C=C4)C#N)F)F)F

InChI

InChI=1S/C28H22F3N/c1-2-3-4-6-18-9-12-23-25(13-18)24(16-27(30)28(23)31)21-8-5-7-19(14-21)20-10-11-22(17-32)26(29)15-20/h5,7-16H,2-4,6H2,1H3