(phenylmethyl) 4-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 4-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]indole-1-carboxylate Openeye Name: benzyl 3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-indole-1-carboxylate CAS Name: 3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-4-fluoro-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoroindole-1-carboxylate Traditional Name: 3-[2-(4-benzoylpiperazino)-2-keto-acetyl]-4-fluoro-indole-1-carboxylic acid benzyl ester Formula: C29H24FN3O5 MolecularWeight: 513.516363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=C3C(=CC=C4)F)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=C3C(=CC=C4)F)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H24FN3O5/c30-23-12-7-13-24-25(23)22(18-33(24)29(37)38-19-20-8-3-1-4-9-20)26(34)28(36)32-16-14-31(15-17-32)27(35)21-10-5-2-6-11-21/h1-13,18H,14-17,19H2