4-[[2-(4-ethanoylpiperazin-1-yl)ethylamino]methylidene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one

Systemtic Name: 4-[[2-(4-ethanoylpiperazin-1-yl)ethylamino]methylidene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one Openeye Name: 4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one CAS Name: 4-[[2-(4-acetyl-1-piperazinyl)ethylamino]methylidene]-2-(4-fluorophenyl)-5-propyl-3-pyrazolone IUPAC Name: 4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-fluorophenyl)-5-propylpyrazol-3-one Traditional Name: 4-[[2-(4-acetylpiperazino)ethylamino]methylene]-2-(4-fluorophenyl)-5-propyl-2-pyrazolin-3-one Formula: C21H28FN5O2 MolecularWeight: 401.477723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H28FN5O2/c1-3-4-20-19(21(29)27(24-20)18-7-5-17(22)6-8-18)15-23-9-10-25-11-13-26(14-12-25)16(2)28/h5-8,15,23H,3-4,9-14H2,1-2H3