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

Systemtic Name: 1-ethyl-4-(4-fluorophenyl)-2-(2-methylpiperidin-4-yl)-5-(2-phenoxypyrimidin-4-yl)pyrazol-3-one Openeye Name: 1-ethyl-4-(4-fluorophenyl)-2-(2-methyl-4-piperidyl)-5-(2-phenoxypyrimidin-4-yl)pyrazol-3-one CAS Name: 1-ethyl-4-(4-fluorophenyl)-2-(2-methyl-4-piperidinyl)-5-(2-phenoxy-4-pyrimidinyl)-3-pyrazolone IUPAC Name: 1-ethyl-4-(4-fluorophenyl)-2-(2-methylpiperidin-4-yl)-5-(2-phenoxypyrimidin-4-yl)pyrazol-3-one Traditional Name: 1-ethyl-4-(4-fluorophenyl)-2-(2-methyl-4-piperidyl)-5-(2-phenoxypyrimidin-4-yl)-3-pyrazolin-3-one Formula: C27H28FN5O2 MolecularWeight: 473.541923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1C2CCNC(C2)C)C3=CC=C(C=C3)F)C4=NC(=NC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCN1C(=C(C(=O)N1C2CCNC(C2)C)C3=CC=C(C=C3)F)C4=NC(=NC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H28FN5O2/c1-3-32-25(23-14-16-30-27(31-23)35-22-7-5-4-6-8-22)24(19-9-11-20(28)12-10-19)26(34)33(32)21-13-15-29-18(2)17-21/h4-12,14,16,18,21,29H,3,13,15,17H2,1-2H3