1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-3,5-dicarboxylic acid

Systemtic Name: 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyrazole-3,5-dicarboxylic acid Openeye Name: 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]pyrazole-3,5-dicarboxylic acid CAS Name: 1-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]pyrazole-3,5-dicarboxylic acid IUPAC Name: 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazole-3,5-dicarboxylic acid Traditional Name: 1-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]pyrazole-3,5-dicarboxylic acid Formula: C17H17FN4O5 MolecularWeight: 376.339083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O5/c18-11-1-3-12(4-2-11)20-5-7-21(8-6-20)15(23)10-22-14(17(26)27)9-13(19-22)16(24)25/h1-4,9H,5-8,10H2,(H,24,25)(H,26,27)