1-[2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-3-carboxylic acid Openeye Name: 1-[2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid Traditional Name: 1-[2-[4-(3-fluorobenzyl)piperazino]-2-keto-ethyl]pyrazole-3-carboxylic acid Formula: C17H19FN4O3 MolecularWeight: 346.356163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)F)C(=O)CN3C=CC(=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)C(=O)CN3C=CC(=N3)C(=O)O

InChI

InChI=1S/C17H19FN4O3/c18-14-3-1-2-13(10-14)11-20-6-8-21(9-7-20)16(23)12-22-5-4-15(19-22)17(24)25/h1-5,10H,6-9,11-12H2,(H,24,25)