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

Systemtic Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[2-(3-fluorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazino]heptan-1-one Formula: C23H31FN4O MolecularWeight: 398.516843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN4O/c1-4-5-6-7-11-21(29)27-12-14-28(15-13-27)23-17(2)18(3)25-22(26-23)19-9-8-10-20(24)16-19/h8-10,16H,4-7,11-15H2,1-3H3