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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)CC)C

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)CC)C

InChI

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