5-[2-(3-fluoranylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-piperidin-4-yl-pyrazol-3-one

Systemtic Name: 5-[2-(3-fluoranylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-piperidin-4-yl-pyrazol-3-one Openeye Name: 5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-(4-piperidyl)pyrazol-3-one CAS Name: 5-[2-(3-fluorophenoxy)-4-pyrimidinyl]-4-(4-fluorophenyl)-2-methyl-1-(4-piperidinyl)-3-pyrazolone IUPAC Name: 5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-piperidin-4-ylpyrazol-3-one Traditional Name: 5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-(4-piperidyl)-3-pyrazolin-3-one Formula: C25H23F2N5O2 MolecularWeight: 463.479226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1C2CCNCC2)C3=NC(=NC=C3)OC4=CC(=CC=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C(=C(N1C2CCNCC2)C3=NC(=NC=C3)OC4=CC(=CC=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H23F2N5O2/c1-31-24(33)22(16-5-7-17(26)8-6-16)23(32(31)19-9-12-28-13-10-19)21-11-14-29-25(30-21)34-20-4-2-3-18(27)15-20/h2-8,11,14-15,19,28H,9-10,12-13H2,1H3