[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C23H22FN3O3 MolecularWeight: 407.437483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C23H22FN3O3/c24-20-8-1-2-9-21(20)26-12-14-27(15-13-26)22(28)17-30-23(29)18-6-5-7-19(16-18)25-10-3-4-11-25/h1-11,16H,12-15,17H2