cyclobutyl-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: cyclobutyl-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: cyclobutyl-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: cyclobutyl-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: cyclobutyl-[4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: cyclobutyl-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]methanone Formula: C22H27FN4O MolecularWeight: 382.474383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)C3CCC3)C4=CC(=CC=C4)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)C3CCC3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C22H27FN4O/c1-3-19-15(2)24-20(17-8-5-9-18(23)14-17)25-21(19)26-10-12-27(13-11-26)22(28)16-6-4-7-16/h5,8-9,14,16H,3-4,6-7,10-13H2,1-2H3