4-(4-fluorophenyl)-1-methyl-2-(2-methylpiperidin-4-yl)-5-(2-phenoxypyrimidin-4-yl)pyrazol-3-one

Systemtic Name: 4-(4-fluorophenyl)-1-methyl-2-(2-methylpiperidin-4-yl)-5-(2-phenoxypyrimidin-4-yl)pyrazol-3-one Openeye Name: 4-(4-fluorophenyl)-1-methyl-2-(2-methyl-4-piperidyl)-5-(2-phenoxypyrimidin-4-yl)pyrazol-3-one CAS Name: 4-(4-fluorophenyl)-1-methyl-2-(2-methyl-4-piperidinyl)-5-(2-phenoxy-4-pyrimidinyl)-3-pyrazolone IUPAC Name: 4-(4-fluorophenyl)-1-methyl-2-(2-methylpiperidin-4-yl)-5-(2-phenoxypyrimidin-4-yl)pyrazol-3-one Traditional Name: 4-(4-fluorophenyl)-1-methyl-2-(2-methyl-4-piperidyl)-5-(2-phenoxypyrimidin-4-yl)-3-pyrazolin-3-one Formula: C26H26FN5O2 MolecularWeight: 459.515343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1)N2C(=O)C(=C(N2C)C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1CC(CCN1)N2C(=O)C(=C(N2C)C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H26FN5O2/c1-17-16-20(12-14-28-17)32-25(33)23(18-8-10-19(27)11-9-18)24(31(32)2)22-13-15-29-26(30-22)34-21-6-4-3-5-7-21/h3-11,13,15,17,20,28H,12,14,16H2,1-2H3