2-(3-fluoranylphenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(3-fluoranylphenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(3-fluorophenoxy)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 2-(3-fluorophenoxy)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(3-fluorophenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(3-fluorophenoxy)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C22H28FN5O2 MolecularWeight: 413.488423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCCC3)OC4=CC(=CC=C4)F

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCCC3)OC4=CC(=CC=C4)F

InChI

InChI=1S/C22H28FN5O2/c1-17(30-19-7-5-6-18(23)14-19)22(29)28-12-10-27(11-13-28)21-15-20(24-16-25-21)26-8-3-2-4-9-26/h5-7,14-17H,2-4,8-13H2,1H3