tert-butyl 4-[[4-chloranyl-7-fluoranyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-chloranyl-7-fluoranyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-chloro-7-fluoro-2,3-dioxo-indolin-1-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-chloro-7-fluoro-2,3-dioxo-1-indolyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(4-chloro-7-fluoro-2,3-diketo-indolin-1-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H21ClFN3O4 MolecularWeight: 397.828443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CN2C3=C(C=CC(=C3C(=O)C2=O)Cl)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CN2C3=C(C=CC(=C3C(=O)C2=O)Cl)F

InChI

InChI=1S/C18H21ClFN3O4/c1-18(2,3)27-17(26)22-8-6-21(7-9-22)10-23-14-12(20)5-4-11(19)13(14)15(24)16(23)25/h4-5H,6-10H2,1-3H3