N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N'-pyridin-4-yl-ethanediamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N'-pyridin-4-yl-ethanediamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N'-(4-pyridyl)oxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-N'-pyridin-4-yloxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N'-pyridin-4-yloxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N'-(4-pyridyl)oxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=CC=NC=C3)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=CC=NC=C3)C4=CSC=C4

InChI

InChI=1S/C22H22N4O2S/c27-21(22(28)25-19-5-9-23-10-6-19)24-13-20(18-8-12-29-15-18)26-11-7-16-3-1-2-4-17(16)14-26/h1-6,8-10,12,15,20H,7,11,13-14H2,(H,24,27)(H,23,25,28)