2-[3-(4-fluoranyl-2-methoxy-phenyl)-4-(phenylmethyl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[3-(4-fluoranyl-2-methoxy-phenyl)-4-(phenylmethyl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[4-benzyl-3-(4-fluoro-2-methoxy-phenyl)piperazin-1-yl]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[3-(4-fluoro-2-methoxyphenyl)-4-(phenylmethyl)-1-piperazinyl]-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[4-benzyl-3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[4-benzyl-3-(4-fluoro-2-methoxy-phenyl)piperazino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C28H28FN5O2 MolecularWeight: 485.552623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N2CCN(C(C2)C3=C(C=C(C=C3)F)OC)CC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CCN(C(C2)C3=C(C=C(C=C3)F)OC)CC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C28H28FN5O2/c1-32-27(35)17-24(21-10-12-30-13-11-21)31-28(32)34-15-14-33(18-20-6-4-3-5-7-20)25(19-34)23-9-8-22(29)16-26(23)36-2/h3-13,16-17,25H,14-15,18-19H2,1-2H3