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

Systemtic Name: 5-[2-(4-fluoranylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-one Openeye Name: 5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-(1-methyl-4-piperidyl)pyrazol-3-one CAS Name: 5-[2-(4-fluorophenoxy)-4-pyrimidinyl]-4-(4-fluorophenyl)-2-methyl-1-(1-methyl-4-piperidinyl)-3-pyrazolone IUPAC Name: 5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-one Traditional Name: 5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-(1-methyl-4-piperidyl)-3-pyrazolin-3-one Formula: C26H25F2N5O2 MolecularWeight: 477.505806

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2C(=C(C(=O)N2C)C3=CC=C(C=C3)F)C4=NC(=NC=C4)OC5=CC=C(C=C5)F

Isomeric SMILES

CN1CCC(CC1)N2C(=C(C(=O)N2C)C3=CC=C(C=C3)F)C4=NC(=NC=C4)OC5=CC=C(C=C5)F

InChI

InChI=1S/C26H25F2N5O2/c1-31-15-12-20(13-16-31)33-24(23(25(34)32(33)2)17-3-5-18(27)6-4-17)22-11-14-29-26(30-22)35-21-9-7-19(28)8-10-21/h3-11,14,20H,12-13,15-16H2,1-2H3