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

Systemtic Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]octan-1-one Formula: C25H35FN4O MolecularWeight: 426.570003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC(=CC=C3)F

InChI

InChI=1S/C25H35FN4O/c1-4-6-7-8-9-13-23(31)29-14-16-30(17-15-29)25-22(5-2)19(3)27-24(28-25)20-11-10-12-21(26)18-20/h10-12,18H,4-9,13-17H2,1-3H3