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

Systemtic Name: 4-[1,3-bis(fluoranyl)-7-pentyl-phenanthren-2-yl]benzenecarbonitrile Openeye Name: 4-(1,3-difluoro-7-pentyl-2-phenanthryl)benzonitrile CAS Name: 4-(1,3-difluoro-7-pentyl-2-phenanthrenyl)benzonitrile IUPAC Name: 4-(1,3-difluoro-7-pentylphenanthren-2-yl)benzonitrile Traditional Name: 4-(7-amyl-1,3-difluoro-2-phenanthryl)benzonitrile Formula: C26H21F2N MolecularWeight: 385.448446

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H21F2N/c1-2-3-4-5-17-8-12-21-20(14-17)11-13-22-23(21)15-24(27)25(26(22)28)19-9-6-18(16-29)7-10-19/h6-15H,2-5H2,1H3