3-(3-fluorophenyl)-4-[[5-(phenoxymethyl)-1H-pyrazol-3-yl]carbonyl]piperazin-2-one

Systemtic Name: 3-(3-fluorophenyl)-4-[[5-(phenoxymethyl)-1H-pyrazol-3-yl]carbonyl]piperazin-2-one Openeye Name: 3-(3-fluorophenyl)-4-[5-(phenoxymethyl)-1H-pyrazole-3-carbonyl]piperazin-2-one CAS Name: 3-(3-fluorophenyl)-4-[oxo-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methyl]-2-piperazinone IUPAC Name: 3-(3-fluorophenyl)-4-[5-(phenoxymethyl)-1H-pyrazole-3-carbonyl]piperazin-2-one Traditional Name: 3-(3-fluorophenyl)-4-[5-(phenoxymethyl)-1H-pyrazole-3-carbonyl]piperazin-2-one Formula: C21H19FN4O3 MolecularWeight: 394.398963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=CC(=CC=C2)F)C(=O)C3=NNC(=C3)COC4=CC=CC=C4

Isomeric SMILES

C1CN(C(C(=O)N1)C2=CC(=CC=C2)F)C(=O)C3=NNC(=C3)COC4=CC=CC=C4

InChI

InChI=1S/C21H19FN4O3/c22-15-6-4-5-14(11-15)19-20(27)23-9-10-26(19)21(28)18-12-16(24-25-18)13-29-17-7-2-1-3-8-17/h1-8,11-12,19H,9-10,13H2,(H,23,27)(H,24,25)