(4R)-4-(1,3-benzodioxol-5-ylmethyliminomethyl)-2-(4-fluorophenyl)-5-propyl-4H-pyrazol-3-one

Systemtic Name: (4R)-4-(1,3-benzodioxol-5-ylmethyliminomethyl)-2-(4-fluorophenyl)-5-propyl-4H-pyrazol-3-one Openeye Name: (4R)-4-(1,3-benzodioxol-5-ylmethyliminomethyl)-2-(4-fluorophenyl)-5-propyl-4H-pyrazol-3-one CAS Name: (4R)-4-(1,3-benzodioxol-5-ylmethyliminomethyl)-2-(4-fluorophenyl)-5-propyl-4H-pyrazol-3-one IUPAC Name: (4R)-4-(1,3-benzodioxol-5-ylmethyliminomethyl)-2-(4-fluorophenyl)-5-propyl-4H-pyrazol-3-one Traditional Name: (4R)-2-(4-fluorophenyl)-4-(piperonyliminomethyl)-5-propyl-2-pyrazolin-3-one Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C=NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCC1=NN(C(=O)[C@@H]1C=NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O3/c1-2-3-18-17(21(26)25(24-18)16-7-5-15(22)6-8-16)12-23-11-14-4-9-19-20(10-14)28-13-27-19/h4-10,12,17H,2-3,11,13H2,1H3/t17-/m1/s1