N-(5-bromanylpyridin-2-yl)-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-(3,4,5-trimethoxybenzoyl)isonipecotamide Formula: C21H24BrN3O5 MolecularWeight: 478.33636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)C(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)C(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C21H24BrN3O5/c1-28-16-10-14(11-17(29-2)19(16)30-3)21(27)25-8-6-13(7-9-25)20(26)24-18-5-4-15(22)12-23-18/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,26)