tert-butyl 4-[5-fluoranyl-2,3-bis(oxidanylidene)-1H-indol-6-yl]-2-methyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-fluoranyl-2,3-bis(oxidanylidene)-1H-indol-6-yl]-2-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-fluoro-2,3-dioxo-indolin-6-yl)-2-methyl-piperazine-1-carboxylate CAS Name: 4-(5-fluoro-2,3-dioxo-1H-indol-6-yl)-2-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-fluoro-2,3-dioxo-1H-indol-6-yl)-2-methylpiperazine-1-carboxylate Traditional Name: 4-(5-fluoro-2,3-diketo-indolin-6-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C18H22FN3O4 MolecularWeight: 363.383383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OC(C)(C)C)C2=C(C=C3C(=C2)NC(=O)C3=O)F

Isomeric SMILES

CC1CN(CCN1C(=O)OC(C)(C)C)C2=C(C=C3C(=C2)NC(=O)C3=O)F

InChI

InChI=1S/C18H22FN3O4/c1-10-9-21(5-6-22(10)17(25)26-18(2,3)4)14-8-13-11(7-12(14)19)15(23)16(24)20-13/h7-8,10H,5-6,9H2,1-4H3,(H,20,23,24)