1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazino]octan-1-one Formula: C24H33FN4O MolecularWeight: 412.543423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC(=CC=C3)F

InChI

InChI=1S/C24H33FN4O/c1-4-5-6-7-8-12-22(30)28-13-15-29(16-14-28)24-18(2)19(3)26-23(27-24)20-10-9-11-21(25)17-20/h9-11,17H,4-8,12-16H2,1-3H3