2,5-bis(chloranyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]benzamide Openeye Name: 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]benzamide CAS Name: 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]benzamide IUPAC Name: 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]benzamide Traditional Name: 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]benzamide Formula: C22H20Cl2N2OS MolecularWeight: 431.378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N2OS/c23-18-5-6-20(24)19(11-18)22(27)25-12-21(17-8-10-28-14-17)26-9-7-15-3-1-2-4-16(15)13-26/h1-6,8,10-11,14,21H,7,9,12-13H2,(H,25,27)