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

Systemtic Name: 4-bromanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]benzamide Openeye Name: 4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]benzamide CAS Name: 4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]benzamide IUPAC Name: 4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]benzamide Traditional Name: 4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]benzamide Formula: C22H21BrN2OS MolecularWeight: 441.38394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2OS/c23-20-7-5-17(6-8-20)22(26)24-13-21(19-10-12-27-15-19)25-11-9-16-3-1-2-4-18(16)14-25/h1-8,10,12,15,21H,9,11,13-14H2,(H,24,26)