(4S)-2-(4-fluorophenyl)-4-(iminomethyl)-5-propyl-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(4-fluorophenyl)-4-(iminomethyl)-5-propyl-4H-pyrazol-3-one Openeye Name: (4S)-2-(4-fluorophenyl)-4-methanimidoyl-5-propyl-4H-pyrazol-3-one CAS Name: (4S)-2-(4-fluorophenyl)-4-methanimidoyl-5-propyl-4H-pyrazol-3-one IUPAC Name: (4S)-2-(4-fluorophenyl)-4-methanimidoyl-5-propyl-4H-pyrazol-3-one Traditional Name: (4S)-2-(4-fluorophenyl)-4-formimidoyl-5-propyl-2-pyrazolin-3-one Formula: C13H14FN3O MolecularWeight: 247.268163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C=N)C2=CC=C(C=C2)F

Isomeric SMILES

CCCC1=NN(C(=O)[C@H]1C=N)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H14FN3O/c1-2-3-12-11(8-15)13(18)17(16-12)10-6-4-9(14)5-7-10/h4-8,11,15H,2-3H2,1H3/t11-/m0/s1