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

Systemtic Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]ethanone Formula: C26H29FN4O2 MolecularWeight: 448.532463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)COCC3=CC=CC=C3)C4=CC(=CC=C4)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)COCC3=CC=CC=C3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C26H29FN4O2/c1-3-23-19(2)28-25(21-10-7-11-22(27)16-21)29-26(23)31-14-12-30(13-15-31)24(32)18-33-17-20-8-5-4-6-9-20/h4-11,16H,3,12-15,17-18H2,1-2H3