5-(2-fluoranyl-1H-inden-1-yl)-4-methoxy-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile

Systemtic Name: 5-(2-fluoranyl-1H-inden-1-yl)-4-methoxy-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 5-(2-fluoro-1H-inden-1-yl)-4-methoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 5-(2-fluoro-1H-inden-1-yl)-4-methoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 5-(2-fluoro-1H-inden-1-yl)-4-methoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 5-(2-fluoro-1H-inden-1-yl)-3-keto-4-methoxy-2-[3-(trifluoromethyl)phenyl]valeronitrile Formula: C22H17F4NO2 MolecularWeight: 403.369493

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1C2=CC=CC=C2C=C1F)C(=O)C(C#N)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC(CC1C2=CC=CC=C2C=C1F)C(=O)C(C#N)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H17F4NO2/c1-29-20(11-17-16-8-3-2-5-14(16)10-19(17)23)21(28)18(12-27)13-6-4-7-15(9-13)22(24,25)26/h2-10,17-18,20H,11H2,1H3