4-oxidanylidene-3-phenyl-5-[3-(trifluoromethyl)phenyl]pentanenitrile

Systemtic Name: 4-oxidanylidene-3-phenyl-5-[3-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 4-oxo-3-phenyl-5-[3-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 4-oxo-3-phenyl-5-[3-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 4-oxo-3-phenyl-5-[3-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 4-keto-3-phenyl-5-[3-(trifluoromethyl)phenyl]valeronitrile Formula: C18H14F3NO MolecularWeight: 317.30507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC#N)C(=O)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(CC#N)C(=O)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H14F3NO/c19-18(20,21)15-8-4-5-13(11-15)12-17(23)16(9-10-22)14-6-2-1-3-7-14/h1-8,11,16H,9,12H2