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

Systemtic Name: 4-[1,3-bis(fluoranyl)-7-pentyl-phenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-(1,3-difluoro-7-pentyl-2-phenanthryl)-2-fluoro-benzonitrile CAS Name: 4-(1,3-difluoro-7-pentyl-2-phenanthrenyl)-2-fluorobenzonitrile IUPAC Name: 4-(1,3-difluoro-7-pentylphenanthren-2-yl)-2-fluorobenzonitrile Traditional Name: 4-(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(=C(C=C4)C#N)F)F

Isomeric SMILES

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

InChI

InChI=1S/C26H20F3N/c1-2-3-4-5-16-6-10-20-17(12-16)9-11-21-22(20)14-24(28)25(26(21)29)18-7-8-19(15-30)23(27)13-18/h6-14H,2-5H2,1H3