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

Systemtic Name: 4-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[1-(4-fluorophenyl)-4-pyrazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C20H13FN6 MolecularWeight: 356.355823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H13FN6/c21-16-3-7-18(8-4-16)27-13-15(12-24-27)19-9-10-23-20(26-19)25-17-5-1-14(11-22)2-6-17/h1-10,12-13H,(H,23,25,26)