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

Systemtic Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-2-phenyl-butan-1-one Formula: C25H27FN4O MolecularWeight: 418.506483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC(=CC=C4)F

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC(=CC=C4)F

InChI

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