2-(4-fluorophenyl)-5-methyl-4-[3-oxidanylidene-3-(3-oxidanylidenepiperazin-1-yl)propyl]pyrazol-3-olate

Systemtic Name: 2-(4-fluorophenyl)-5-methyl-4-[3-oxidanylidene-3-(3-oxidanylidenepiperazin-1-yl)propyl]pyrazol-3-olate Openeye Name: 2-(4-fluorophenyl)-5-methyl-4-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]pyrazol-3-olate CAS Name: 2-(4-fluorophenyl)-5-methyl-4-[3-oxo-3-(3-oxo-1-piperazinyl)propyl]-3-pyrazololate IUPAC Name: 2-(4-fluorophenyl)-5-methyl-4-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]pyrazol-3-olate Traditional Name: 2-(4-fluorophenyl)-4-[3-keto-3-(3-ketopiperazino)propyl]-5-methyl-pyrazol-3-olate Formula: C17H18FN4O3- MolecularWeight: 345.348223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCC(=O)N2CCNC(=O)C2)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1CCC(=O)N2CCNC(=O)C2)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN4O3/c1-11-14(6-7-16(24)21-9-8-19-15(23)10-21)17(25)22(20-11)13-4-2-12(18)3-5-13/h2-5,25H,6-10H2,1H3,(H,19,23)/p-1