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

Systemtic Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]nonan-1-one Openeye Name: 1-[4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]nonan-1-one CAS Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-nonanone IUPAC Name: 1-[4-[5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]nonan-1-one Traditional Name: 1-[4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]nonan-1-one Formula: C31H39FN4O MolecularWeight: 502.665963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC(=CC=C4)F

Isomeric SMILES

CCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC(=CC=C4)F

InChI

InChI=1S/C31H39FN4O/c1-3-4-5-6-7-11-17-29(37)35-18-20-36(21-19-35)31-28(22-25-13-9-8-10-14-25)24(2)33-30(34-31)26-15-12-16-27(32)23-26/h8-10,12-16,23H,3-7,11,17-22H2,1-2H3