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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33FN4O/c1-5-7-9-19(6-2)24(30)29-14-12-28(13-15-29)23-17(3)18(4)26-22(27-23)20-10-8-11-21(25)16-20/h8,10-11,16,19H,5-7,9,12-15H2,1-4H3