2-(5-bromanylthiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-(5-bromanylthiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide Openeye Name: 2-(5-bromo-2-thienyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide CAS Name: 2-(5-bromo-2-thiophenyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-bromothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide Traditional Name: 2-(5-bromo-2-thienyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]cinchoninamide Formula: C21H22BrN3OS MolecularWeight: 444.38788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br

InChI

InChI=1S/C21H22BrN3OS/c1-2-25-11-5-6-14(25)13-23-21(26)16-12-18(19-9-10-20(22)27-19)24-17-8-4-3-7-15(16)17/h3-4,7-10,12,14H,2,5-6,11,13H2,1H3,(H,23,26)