1-(4-fluorophenyl)-2-[6-(phenylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]oxy-ethanone

Systemtic Name: 1-(4-fluorophenyl)-2-[6-(phenylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]oxy-ethanone Openeye Name: 2-[6-benzyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone CAS Name: 1-(4-fluorophenyl)-2-[[6-(phenylmethyl)-2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethanone IUPAC Name: 2-[6-benzyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone Traditional Name: 2-[6-benzyl-2-(4-phenylpiperazino)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone Formula: C29H27FN4O2 MolecularWeight: 482.548683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC(=CC(=N3)OCC(=O)C4=CC=C(C=C4)F)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC(=CC(=N3)OCC(=O)C4=CC=C(C=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C29H27FN4O2/c30-24-13-11-23(12-14-24)27(35)21-36-28-20-25(19-22-7-3-1-4-8-22)31-29(32-28)34-17-15-33(16-18-34)26-9-5-2-6-10-26/h1-14,20H,15-19,21H2