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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N1C2CCNCC2)C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CCN1C(=O)C(=C(N1C2CCNCC2)C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

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