(4Z)-2-(4-fluorophenyl)-4-[1-(2-methylpropylamino)ethylidene]-5-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(4-fluorophenyl)-4-[1-(2-methylpropylamino)ethylidene]-5-phenyl-pyrazol-3-one Openeye Name: (4Z)-2-(4-fluorophenyl)-4-[1-(isobutylamino)ethylidene]-5-phenyl-pyrazol-3-one CAS Name: (4Z)-2-(4-fluorophenyl)-4-[1-(2-methylpropylamino)ethylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4Z)-2-(4-fluorophenyl)-4-[1-(2-methylpropylamino)ethylidene]-5-phenylpyrazol-3-one Traditional Name: (4Z)-2-(4-fluorophenyl)-4-[1-(isobutylamino)ethylidene]-5-phenyl-2-pyrazolin-3-one Formula: C21H22FN3O MolecularWeight: 351.417283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=C1C(=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C

Isomeric SMILES

CC(C)CN/C(=C\1/C(=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=CC=C3)/C

InChI

InChI=1S/C21H22FN3O/c1-14(2)13-23-15(3)19-20(16-7-5-4-6-8-16)24-25(21(19)26)18-11-9-17(22)10-12-18/h4-12,14,23H,13H2,1-3H3/b19-15-