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

Systemtic Name: 4-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C22H22FN3O MolecularWeight: 363.427983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C2C(=NN(C2=O)C3=CC=CC=C3)C)F)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1C=C2C(=NN(C2=O)C3=CC=CC=C3)C)F)N4CCCC4

InChI

InChI=1S/C22H22FN3O/c1-15-12-21(25-10-6-7-11-25)20(23)14-17(15)13-19-16(2)24-26(22(19)27)18-8-4-3-5-9-18/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3