2-(5-bromanylthiophen-2-yl)-N-[3-(diethylamino)-2-methyl-propyl]quinoline-4-carboxamide

Systemtic Name: 2-(5-bromanylthiophen-2-yl)-N-[3-(diethylamino)-2-methyl-propyl]quinoline-4-carboxamide Openeye Name: 2-(5-bromo-2-thienyl)-N-[3-(diethylamino)-2-methyl-propyl]quinoline-4-carboxamide CAS Name: 2-(5-bromo-2-thiophenyl)-N-[3-(diethylamino)-2-methylpropyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-bromothiophen-2-yl)-N-[3-(diethylamino)-2-methylpropyl]quinoline-4-carboxamide Traditional Name: 2-(5-bromo-2-thienyl)-N-[3-(diethylamino)-2-methyl-propyl]cinchoninamide Formula: C22H26BrN3OS MolecularWeight: 460.43034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C)CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Br

Isomeric SMILES

CCN(CC)CC(C)CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Br

InChI

InChI=1S/C22H26BrN3OS/c1-4-26(5-2)14-15(3)13-24-22(27)17-12-19(20-10-11-21(23)28-20)25-18-9-7-6-8-16(17)18/h6-12,15H,4-5,13-14H2,1-3H3,(H,24,27)