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

Systemtic Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]heptan-1-one Formula: C22H29FN4O MolecularWeight: 384.490263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN4O/c1-3-4-5-6-10-21(28)27-13-11-26(12-14-27)20-15-17(2)24-22(25-20)18-8-7-9-19(23)16-18/h7-9,15-16H,3-6,10-14H2,1-2H3