3-fluoranyl-5-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)prop-2-enyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-5-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)prop-2-enyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-fluoro-5-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)allyl]piperazin-1-yl]benzonitrile CAS Name: 3-fluoro-5-[4-[(E)-3-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]prop-2-enyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-fluoro-5-[4-[(E)-3-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)prop-2-enyl]piperazin-1-yl]benzonitrile Traditional Name: 3-fluoro-5-[4-[(E)-3-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]allyl]piperazino]benzonitrile Formula: C22H22FN7 MolecularWeight: 403.455383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C=CCN3CCN(CC3)C4=CC(=CC(=C4)C#N)F

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)/C=C/CN3CCN(CC3)C4=CC(=CC(=C4)C#N)F

InChI

InChI=1S/C22H22FN7/c1-17-19(16-27-30(17)22-25-5-3-6-26-22)4-2-7-28-8-10-29(11-9-28)21-13-18(15-24)12-20(23)14-21/h2-6,12-14,16H,7-11H2,1H3/b4-2+