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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN4O/c1-4-6-8-18(5-2)23(29)28-13-11-27(12-14-28)21-15-17(3)25-22(26-21)19-9-7-10-20(24)16-19/h7,9-10,15-16,18H,4-6,8,11-14H2,1-3H3