1-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[5-(2-fluorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]piperazino]propan-1-one Formula: C25H27FN4O MolecularWeight: 418.506483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3F)C)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3F)C)C4=CC=CC=C4

InChI

InChI=1S/C25H27FN4O/c1-3-23(31)29-13-15-30(16-14-29)25-21(17-20-11-7-8-12-22(20)26)18(2)27-24(28-25)19-9-5-4-6-10-19/h4-12H,3,13-17H2,1-2H3