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

Systemtic Name: tert-butyl 4-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]indole-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C26H26FN3O5 MolecularWeight: 479.500143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2F)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2F)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26FN3O5/c1-26(2,3)35-25(34)30-16-18(21-19(27)10-7-11-20(21)30)22(31)24(33)29-14-12-28(13-15-29)23(32)17-8-5-4-6-9-17/h4-11,16H,12-15H2,1-3H3