2-(4-fluorophenyl)-4-[[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]methylidene]-5-propyl-pyrazol-3-one

Systemtic Name: 2-(4-fluorophenyl)-4-[[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]methylidene]-5-propyl-pyrazol-3-one Openeye Name: 2-(4-fluorophenyl)-4-[[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]methylene]-5-propyl-pyrazol-3-one CAS Name: 2-(4-fluorophenyl)-4-[[[(2S)-2-hydroxy-2-phenylethyl]amino]methylidene]-5-propyl-3-pyrazolone IUPAC Name: 2-(4-fluorophenyl)-4-[[[(2S)-2-hydroxy-2-phenylethyl]amino]methylidene]-5-propylpyrazol-3-one Traditional Name: 2-(4-fluorophenyl)-4-[[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]methylene]-5-propyl-2-pyrazolin-3-one Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCC(C2=CC=CC=C2)O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNC[C@H](C2=CC=CC=C2)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O2/c1-2-6-19-18(13-23-14-20(26)15-7-4-3-5-8-15)21(27)25(24-19)17-11-9-16(22)10-12-17/h3-5,7-13,20,23,26H,2,6,14H2,1H3/t20-/m1/s1