N-(4-bromanyl-2-chloranyl-phenyl)-1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)piperidine-4-carboxamide CAS Name: N-(4-bromo-2-chlorophenyl)-1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)isonipecotamide Formula: C21H27BrClN3O3 MolecularWeight: 484.81438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C21H27BrClN3O3/c1-21(2,3)26-12-14(10-18(26)27)20(29)25-8-6-13(7-9-25)19(28)24-17-5-4-15(22)11-16(17)23/h4-5,11,13-14H,6-10,12H2,1-3H3,(H,24,28)