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

Systemtic Name: 3-bromanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]benzamide Openeye Name: 3-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]benzamide CAS Name: 3-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]benzamide IUPAC Name: 3-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]benzamide Traditional Name: 3-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(=CC=C3)Br)C4=CSC=C4

Isomeric SMILES

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

InChI

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