1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)-N-(4-fluoro-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-N-(4-fluoro-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-fluoro-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)-N-(4-fluoro-3-nitro-phenyl)isonipecotamide Formula: C21H27FN4O5 MolecularWeight: 434.461283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H27FN4O5/c1-21(2,3)25-12-14(10-18(25)27)20(29)24-8-6-13(7-9-24)19(28)23-15-4-5-16(22)17(11-15)26(30)31/h4-5,11,13-14H,6-10,12H2,1-3H3,(H,23,28)