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

Systemtic Name: 4-[7-butyl-1,3-bis(fluoranyl)phenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-(7-butyl-1,3-difluoro-2-phenanthryl)-2-fluoro-benzonitrile CAS Name: 4-(7-butyl-1,3-difluoro-2-phenanthrenyl)-2-fluorobenzonitrile IUPAC Name: 4-(7-butyl-1,3-difluorophenanthren-2-yl)-2-fluorobenzonitrile Traditional Name: 4-(7-butyl-1,3-difluoro-2-phenanthryl)-2-fluoro-benzonitrile Formula: C25H18F3N MolecularWeight: 389.41233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C3=CC(=C(C(=C3C=C2)F)C4=CC(=C(C=C4)C#N)F)F

Isomeric SMILES

CCCCC1=CC2=C(C=C1)C3=CC(=C(C(=C3C=C2)F)C4=CC(=C(C=C4)C#N)F)F

InChI

InChI=1S/C25H18F3N/c1-2-3-4-15-5-9-19-16(11-15)8-10-20-21(19)13-23(27)24(25(20)28)17-6-7-18(14-29)22(26)12-17/h5-13H,2-4H2,1H3