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

Systemtic Name: 1-ethyl-5-[2-(4-fluoranylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)pyrazol-3-one Openeye Name: 1-ethyl-5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-(1-methyl-4-piperidyl)pyrazol-3-one CAS Name: 1-ethyl-5-[2-(4-fluorophenoxy)-4-pyrimidinyl]-4-(4-fluorophenyl)-2-(1-methyl-4-piperidinyl)-3-pyrazolone IUPAC Name: 1-ethyl-5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)pyrazol-3-one Traditional Name: 1-ethyl-5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-(1-methyl-4-piperidyl)-3-pyrazolin-3-one Formula: C27H27F2N5O2 MolecularWeight: 491.532386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1C2CCN(CC2)C)C3=CC=C(C=C3)F)C4=NC(=NC=C4)OC5=CC=C(C=C5)F

Isomeric SMILES

CCN1C(=C(C(=O)N1C2CCN(CC2)C)C3=CC=C(C=C3)F)C4=NC(=NC=C4)OC5=CC=C(C=C5)F

InChI

InChI=1S/C27H27F2N5O2/c1-3-33-25(23-12-15-30-27(31-23)36-22-10-8-20(29)9-11-22)24(18-4-6-19(28)7-5-18)26(35)34(33)21-13-16-32(2)17-14-21/h4-12,15,21H,3,13-14,16-17H2,1-2H3