3-[[3-ethyl-5-(2-phenylmethoxyethyl)-1H-pyrazol-4-yl]oxy]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[3-ethyl-5-(2-phenylmethoxyethyl)-1H-pyrazol-4-yl]oxy]-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[5-(2-benzyloxyethyl)-3-ethyl-1H-pyrazol-4-yl]oxy]-5-fluoro-benzonitrile CAS Name: 3-[[3-ethyl-5-(2-phenylmethoxyethyl)-1H-pyrazol-4-yl]oxy]-5-fluorobenzonitrile IUPAC Name: 3-[[3-ethyl-5-(2-phenylmethoxyethyl)-1H-pyrazol-4-yl]oxy]-5-fluorobenzonitrile Traditional Name: 3-[[5-(2-benzoxyethyl)-3-ethyl-1H-pyrazol-4-yl]oxy]-5-fluoro-benzonitrile Formula: C21H20FN3O2 MolecularWeight: 365.400803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=C1OC2=CC(=CC(=C2)C#N)F)CCOCC3=CC=CC=C3

Isomeric SMILES

CCC1=NNC(=C1OC2=CC(=CC(=C2)C#N)F)CCOCC3=CC=CC=C3

InChI

InChI=1S/C21H20FN3O2/c1-2-19-21(27-18-11-16(13-23)10-17(22)12-18)20(25-24-19)8-9-26-14-15-6-4-3-5-7-15/h3-7,10-12H,2,8-9,14H2,1H3,(H,24,25)