1-[2-(4-fluoranyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]-4-(phenylcarbonyl)piperazine-2-carboxylic acid

Systemtic Name: 1-[2-(4-fluoranyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]-4-(phenylcarbonyl)piperazine-2-carboxylic acid Openeye Name: 4-benzoyl-1-[2-(4-fluoro-1H-indol-3-yl)-2-oxo-acetyl]piperazine-2-carboxylic acid CAS Name: 4-benzoyl-1-[2-(4-fluoro-1H-indol-3-yl)-1,2-dioxoethyl]-2-piperazinecarboxylic acid IUPAC Name: 4-benzoyl-1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]piperazine-2-carboxylic acid Traditional Name: 4-benzoyl-1-[2-(4-fluoro-1H-indol-3-yl)-2-keto-acetyl]piperazine-2-carboxylic acid Formula: C22H18FN3O5 MolecularWeight: 423.393823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C2=CC=CC=C2)C(=O)O)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

Isomeric SMILES

C1CN(C(CN1C(=O)C2=CC=CC=C2)C(=O)O)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

InChI

InChI=1S/C22H18FN3O5/c23-15-7-4-8-16-18(15)14(11-24-16)19(27)21(29)26-10-9-25(12-17(26)22(30)31)20(28)13-5-2-1-3-6-13/h1-8,11,17,24H,9-10,12H2,(H,30,31)