2-(5-bromanylthiophen-2-yl)-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide

Systemtic Name: 2-(5-bromanylthiophen-2-yl)-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide Openeye Name: 2-(5-bromo-2-thienyl)-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide CAS Name: 2-(5-bromo-2-thiophenyl)-N-(2,3-dimethylcyclohexyl)-4-quinolinecarboxamide IUPAC Name: 2-(5-bromothiophen-2-yl)-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide Traditional Name: 2-(5-bromo-2-thienyl)-N-(2,3-dimethylcyclohexyl)cinchoninamide Formula: C22H23BrN2OS MolecularWeight: 443.39982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br

InChI

InChI=1S/C22H23BrN2OS/c1-13-6-5-9-17(14(13)2)25-22(26)16-12-19(20-10-11-21(23)27-20)24-18-8-4-3-7-15(16)18/h3-4,7-8,10-14,17H,5-6,9H2,1-2H3,(H,25,26)