4-[7-butyl-6,8-bis(fluoranyl)-9,10-dihydrophenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[7-butyl-6,8-bis(fluoranyl)-9,10-dihydrophenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-(7-butyl-6,8-difluoro-9,10-dihydrophenanthren-2-yl)-2-fluoro-benzonitrile CAS Name: 4-(7-butyl-6,8-difluoro-9,10-dihydrophenanthren-2-yl)-2-fluorobenzonitrile IUPAC Name: 4-(7-butyl-6,8-difluoro-9,10-dihydrophenanthren-2-yl)-2-fluorobenzonitrile Traditional Name: 4-(7-butyl-6,8-difluoro-9,10-dihydrophenanthren-2-yl)-2-fluoro-benzonitrile Formula: C25H20F3N MolecularWeight: 391.42821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1F)CCC3=C2C=CC(=C3)C4=CC(=C(C=C4)C#N)F)F

Isomeric SMILES

CCCCC1=C(C=C2C(=C1F)CCC3=C2C=CC(=C3)C4=CC(=C(C=C4)C#N)F)F

InChI

InChI=1S/C25H20F3N/c1-2-3-4-21-24(27)13-22-19-9-7-15(11-17(19)8-10-20(22)25(21)28)16-5-6-18(14-29)23(26)12-16/h5-7,9,11-13H,2-4,8,10H2,1H3