2-(5-bromanylthiophen-2-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(5-bromanylthiophen-2-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(5-bromo-2-thienyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]quinoline-4-carboxamide CAS Name: 2-(5-bromo-2-thiophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-bromothiophen-2-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]quinoline-4-carboxamide Traditional Name: 2-(5-bromo-2-thienyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cinchoninamide Formula: C25H22BrN3OS MolecularWeight: 492.43068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Br

InChI

InChI=1S/C25H22BrN3OS/c26-24-10-9-23(31-24)22-15-20(19-7-3-4-8-21(19)28-22)25(30)27-12-14-29-13-11-17-5-1-2-6-18(17)16-29/h1-10,15H,11-14,16H2,(H,27,30)