3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-2-one

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-2-one Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazin-2-one CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-piperazinone IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-2-one Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperazin-2-one Formula: C24H27FN4O3 MolecularWeight: 438.494583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(COC4=CC=C(C=C4)F)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(COC4=CC=C(C=C4)F)O

InChI

InChI=1S/C24H27FN4O3/c1-16-22(17(2)29(27-16)19-6-4-3-5-7-19)23-24(31)26-12-13-28(23)14-20(30)15-32-21-10-8-18(25)9-11-21/h3-11,20,23,30H,12-15H2,1-2H3,(H,26,31)