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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)isonipecotamide Formula: C22H30BrN3O3 MolecularWeight: 464.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3CC(=O)N(C3)C(C)(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3CC(=O)N(C3)C(C)(C)C)Br

InChI

InChI=1S/C22H30BrN3O3/c1-14-11-17(5-6-18(14)23)24-20(28)15-7-9-25(10-8-15)21(29)16-12-19(27)26(13-16)22(2,3)4/h5-6,11,15-16H,7-10,12-13H2,1-4H3,(H,24,28)