3-[3-[3,4-bis(fluoranyl)phenyl]-4-methanoyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-[3,4-bis(fluoranyl)phenyl]-4-methanoyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(3,4-difluorophenyl)-4-formyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(3,4-difluorophenyl)-4-formyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(3,4-difluorophenyl)-4-formylpyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(3,4-difluorophenyl)-4-formyl-pyrazol-1-yl]propionitrile Formula: C13H9F2N3O MolecularWeight: 261.226866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NN(C=C2C=O)CCC#N)F)F

Isomeric SMILES

C1=CC(=C(C=C1C2=NN(C=C2C=O)CCC#N)F)F

InChI

InChI=1S/C13H9F2N3O/c14-11-3-2-9(6-12(11)15)13-10(8-19)7-18(17-13)5-1-4-16/h2-3,6-8H,1,5H2