4-[[4-[1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C21H15FN6 MolecularWeight: 370.382403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN6/c1-14-19(13-28(27-14)18-8-4-16(22)5-9-18)20-10-11-24-21(26-20)25-17-6-2-15(12-23)3-7-17/h2-11,13H,1H3,(H,24,25,26)