3-[1,3-bis(fluoranyl)-7-pentyl-phenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[1,3-bis(fluoranyl)-7-pentyl-phenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 3-(1,3-difluoro-7-pentyl-2-phenanthryl)-2-fluoro-benzonitrile CAS Name: 3-(1,3-difluoro-7-pentyl-2-phenanthrenyl)-2-fluorobenzonitrile IUPAC Name: 3-(1,3-difluoro-7-pentylphenanthren-2-yl)-2-fluorobenzonitrile Traditional Name: 3-(7-amyl-1,3-difluoro-2-phenanthryl)-2-fluoro-benzonitrile Formula: C26H20F3N MolecularWeight: 403.43891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C1)C3=CC(=C(C(=C3C=C2)F)C4=CC=CC(=C4F)C#N)F

Isomeric SMILES

CCCCCC1=CC2=C(C=C1)C3=CC(=C(C(=C3C=C2)F)C4=CC=CC(=C4F)C#N)F

InChI

InChI=1S/C26H20F3N/c1-2-3-4-6-16-9-11-19-17(13-16)10-12-20-22(19)14-23(27)24(26(20)29)21-8-5-7-18(15-30)25(21)28/h5,7-14H,2-4,6H2,1H3