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

Systemtic Name: 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C16H17FN4O3 MolecularWeight: 332.329583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C=C(C=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C=C(C=N3)C(=O)O

InChI

InChI=1S/C16H17FN4O3/c17-13-1-3-14(4-2-13)19-5-7-20(8-6-19)15(22)11-21-10-12(9-18-21)16(23)24/h1-4,9-10H,5-8,11H2,(H,23,24)