1-ethyl-4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-2-piperidin-4-yl-pyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1C2CCNCC2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCN1C(=C(C(=O)N1C2CCNCC2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)OC5=CC=CC=C5

InChI

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