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

Systemtic Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazino]ethanone Formula: C27H31FN4O2 MolecularWeight: 462.559043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)COCC3=CC=CC=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)COCC3=CC=CC=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C27H31FN4O2/c1-3-25-24(17-22-10-7-11-23(28)16-22)27(30-20(2)29-25)32-14-12-31(13-15-32)26(33)19-34-18-21-8-5-4-6-9-21/h4-11,16H,3,12-15,17-19H2,1-2H3