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

Systemtic Name: 1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]nonan-1-one Openeye Name: 1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]nonan-1-one CAS Name: 1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-nonanone IUPAC Name: 1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]nonan-1-one Traditional Name: 1-[4-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]nonan-1-one Formula: C26H37FN4O MolecularWeight: 440.596583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)C)C

Isomeric SMILES

CCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)C)C

InChI

InChI=1S/C26H37FN4O/c1-4-5-6-7-8-9-13-25(32)30-14-16-31(17-15-30)26-24(20(2)28-21(3)29-26)19-22-11-10-12-23(27)18-22/h10-12,18H,4-9,13-17,19H2,1-3H3