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

Systemtic Name: 1-[2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-[4-(3-fluorobenzyl)piperazino]-2-keto-ethyl]pyrazole-4-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=C(C=N3)C(=O)O

Isomeric SMILES

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

InChI

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