N-(1-bromanyl-1-chloranyl-3-methyl-2-oxidanylidene-pentan-3-yl)quinoline-3-carboxamide

Systemtic Name: N-(1-bromanyl-1-chloranyl-3-methyl-2-oxidanylidene-pentan-3-yl)quinoline-3-carboxamide Openeye Name: N-(3-bromo-3-chloro-1-ethyl-1-methyl-2-oxo-propyl)quinoline-3-carboxamide CAS Name: N-(1-bromo-1-chloro-3-methyl-2-oxopentan-3-yl)-3-quinolinecarboxamide IUPAC Name: N-(1-bromo-1-chloro-3-methyl-2-oxopentan-3-yl)quinoline-3-carboxamide Traditional Name: N-(3-bromo-3-chloro-1-ethyl-2-keto-1-methyl-propyl)quinoline-3-carboxamide Formula: C16H16BrClN2O2 MolecularWeight: 383.66744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)C(Cl)Br)NC(=O)C1=CC2=CC=CC=C2N=C1

Isomeric SMILES

CCC(C)(C(=O)C(Cl)Br)NC(=O)C1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C16H16BrClN2O2/c1-3-16(2,13(21)14(17)18)20-15(22)11-8-10-6-4-5-7-12(10)19-9-11/h4-9,14H,3H2,1-2H3,(H,20,22)