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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(2-thienyl)cinchoninamide Formula: C25H23N3OS MolecularWeight: 413.53462

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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=CS5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C25H23N3OS/c29-25(26-12-14-28-13-11-18-6-1-2-7-19(18)17-28)21-16-23(24-10-5-15-30-24)27-22-9-4-3-8-20(21)22/h1-10,15-16H,11-14,17H2,(H,26,29)