N-(5-bromanylpyridin-2-yl)-1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidine-4-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidine-4-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-[2-(4-chlorophenoxy)-2-methyl-propanoyl]piperidine-4-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-[2-(4-chlorophenoxy)-2-methyl-propanoyl]isonipecotamide Formula: C21H23BrClN3O3 MolecularWeight: 480.78262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCC(CC1)C(=O)NC2=NC=C(C=C2)Br)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCC(CC1)C(=O)NC2=NC=C(C=C2)Br)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23BrClN3O3/c1-21(2,29-17-6-4-16(23)5-7-17)20(28)26-11-9-14(10-12-26)19(27)25-18-8-3-15(22)13-24-18/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,27)