2-(4-fluorophenyl)-4-[[(phenylmethyl)amino]methylidene]-5-propyl-pyrazol-3-one

Systemtic Name: 2-(4-fluorophenyl)-4-[[(phenylmethyl)amino]methylidene]-5-propyl-pyrazol-3-one Openeye Name: 4-[(benzylamino)methylene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one CAS Name: 2-(4-fluorophenyl)-4-[[(phenylmethyl)amino]methylidene]-5-propyl-3-pyrazolone IUPAC Name: 4-[(benzylamino)methylidene]-2-(4-fluorophenyl)-5-propylpyrazol-3-one Traditional Name: 4-[(benzylamino)methylene]-2-(4-fluorophenyl)-5-propyl-2-pyrazolin-3-one Formula: C20H20FN3O MolecularWeight: 337.390703

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O/c1-2-6-19-18(14-22-13-15-7-4-3-5-8-15)20(25)24(23-19)17-11-9-16(21)10-12-17/h3-5,7-12,14,22H,2,6,13H2,1H3