1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-3,5,5-trimethyl-hexan-1-one Formula: C24H33FN4O MolecularWeight: 412.543423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C24H33FN4O/c1-17(16-24(3,4)5)13-22(30)29-11-9-28(10-12-29)21-14-18(2)26-23(27-21)19-7-6-8-20(25)15-19/h6-8,14-15,17H,9-13,16H2,1-5H3