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

Systemtic Name: 2-ethyl-4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-(2-phenoxypyrimidin-4-yl)-1H-pyrazol-2-ium-3-one Openeye Name: 2-ethyl-4-(4-fluorophenyl)-2-(1-methyl-4-piperidyl)-5-(2-phenoxypyrimidin-4-yl)-1H-pyrazol-2-ium-3-one CAS Name: 2-ethyl-4-(4-fluorophenyl)-2-(1-methyl-4-piperidinyl)-5-(2-phenoxy-4-pyrimidinyl)-1H-pyrazol-2-ium-3-one IUPAC Name: 2-ethyl-4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-(2-phenoxypyrimidin-4-yl)-1H-pyrazol-2-ium-3-one Traditional Name: 2-ethyl-4-(4-fluorophenyl)-2-(1-methyl-4-piperidyl)-5-(2-phenoxypyrimidin-4-yl)-3-pyrazolin-2-ium-3-one Formula: C27H29FN5O2+ MolecularWeight: 474.549863

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)C(=C(N1)C2=NC(=NC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)F)C5CCN(CC5)C

Isomeric SMILES

CC[N+]1(C(=O)C(=C(N1)C2=NC(=NC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)F)C5CCN(CC5)C

InChI

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