2-[2-[4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile

Systemtic Name: 2-[2-[4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile Openeye Name: 2-[2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]-2-(2-pyridyl)acetonitrile CAS Name: 2-[2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazinyl]-4-pyrimidinyl]-2-(2-pyridinyl)acetonitrile IUPAC Name: 2-[2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile Traditional Name: 2-[2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazino]pyrimidin-4-yl]-2-(2-pyridyl)acetonitrile Formula: C24H23FN6O2 MolecularWeight: 446.476823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC(=C2)F)COCO3)C4=NC=CC(=N4)C(C#N)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC(=C2)F)COCO3)C4=NC=CC(=N4)C(C#N)C5=CC=CC=N5

InChI

InChI=1S/C24H23FN6O2/c25-19-11-17(23-18(12-19)15-32-16-33-23)14-30-7-9-31(10-8-30)24-28-6-4-22(29-24)20(13-26)21-3-1-2-5-27-21/h1-6,11-12,20H,7-10,14-16H2