3-fluoranyl-5-[4-[3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-oxidanylidene-propyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-5-[4-[3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-oxidanylidene-propyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-fluoro-5-[4-[3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-oxo-propyl]piperazin-1-yl]benzonitrile CAS Name: 3-fluoro-5-[4-[3-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-oxopropyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-fluoro-5-[4-[3-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-oxopropyl]piperazin-1-yl]benzonitrile Traditional Name: 3-fluoro-5-[4-[3-keto-3-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]propyl]piperazino]benzonitrile Formula: C22H22FN7O MolecularWeight: 419.454783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN7O/c1-16-20(15-27-30(16)22-25-4-2-5-26-22)21(31)3-6-28-7-9-29(10-8-28)19-12-17(14-24)11-18(23)13-19/h2,4-5,11-13,15H,3,6-10H2,1H3