1-[4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[6-ethyl-5-(2-fluorobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-3-methyl-butan-1-one Formula: C28H33FN4O MolecularWeight: 460.586223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)C)CC4=CC=CC=C4F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)C)CC4=CC=CC=C4F

InChI

InChI=1S/C28H33FN4O/c1-4-25-23(19-22-12-8-9-13-24(22)29)28(31-27(30-25)21-10-6-5-7-11-21)33-16-14-32(15-17-33)26(34)18-20(2)3/h5-13,20H,4,14-19H2,1-3H3