1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]octan-1-one Formula: C23H31FN4O MolecularWeight: 398.516843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC(=CC=C3)F

InChI

InChI=1S/C23H31FN4O/c1-3-4-5-6-7-11-22(29)28-14-12-27(13-15-28)21-16-18(2)25-23(26-21)19-9-8-10-20(24)17-19/h8-10,16-17H,3-7,11-15H2,1-2H3