[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-pyrazol-1-ylbenzoate

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-pyrazol-1-ylbenzoate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-pyrazol-1-ylbenzoate CAS Name: 2-(1-pyrazolyl)benzoic acid [2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-pyrazol-1-ylbenzoate Traditional Name: 2-pyrazol-1-ylbenzoic acid [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C22H21FN4O3 MolecularWeight: 408.425543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)COC(=O)C3=CC=CC=C3N4C=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)COC(=O)C3=CC=CC=C3N4C=CC=N4

InChI

InChI=1S/C22H21FN4O3/c23-18-7-2-4-9-20(18)25-12-14-26(15-13-25)21(28)16-30-22(29)17-6-1-3-8-19(17)27-11-5-10-24-27/h1-11H,12-16H2