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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]quinoxaline-2-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]quinoxaline-2-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2-quinoxalinecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]quinoxaline-2-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]quinoxaline-2-carboxamide Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=NC4=CC=CC=C4N=C3)C5=CSC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=NC4=CC=CC=C4N=C3)C5=CSC=C5

InChI

InChI=1S/C24H22N4OS/c29-24(22-13-25-20-7-3-4-8-21(20)27-22)26-14-23(19-10-12-30-16-19)28-11-9-17-5-1-2-6-18(17)15-28/h1-8,10,12-13,16,23H,9,11,14-15H2,(H,26,29)