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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35FN4O/c1-5-8-10-19(6-2)25(31)30-15-13-29(14-16-30)24-22(7-3)18(4)27-23(28-24)20-11-9-12-21(26)17-20/h9,11-12,17,19H,5-8,10,13-16H2,1-4H3