(4E)-4-[(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(3-fluoro-4-pyrrolidin-1-yl-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[3-fluoro-4-(1-pyrrolidinyl)phenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-(3-fluoro-4-pyrrolidino-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H20FN3O MolecularWeight: 349.401403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)N3CCCC3)F)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)N3CCCC3)F)C4=CC=CC=C4

InChI

InChI=1S/C21H20FN3O/c1-15-18(21(26)25(23-15)17-7-3-2-4-8-17)13-16-9-10-20(19(22)14-16)24-11-5-6-12-24/h2-4,7-10,13-14H,5-6,11-12H2,1H3/b18-13+