3-fluoranyl-4-[4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-1-yl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-(1-pyrimidin-2-yl-4-piperidyl)-1-piperidyl]benzonitrile CAS Name: 3-fluoro-4-[4-[1-(2-pyrimidinyl)-4-piperidinyl]-1-piperidinyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-1-yl]benzonitrile Traditional Name: 3-fluoro-4-[4-[1-(2-pyrimidyl)-4-piperidyl]piperidino]benzonitrile Formula: C21H24FN5 MolecularWeight: 365.447163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)C3=NC=CC=N3)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1CN(CCC1C2CCN(CC2)C3=NC=CC=N3)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C21H24FN5/c22-19-14-16(15-23)2-3-20(19)26-10-4-17(5-11-26)18-6-12-27(13-7-18)21-24-8-1-9-25-21/h1-3,8-9,14,17-18H,4-7,10-13H2