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

Systemtic Name: 2-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-fluoranyl-benzamide Openeye Name: 2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-fluoro-benzamide CAS Name: 2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-4-fluorobenzamide IUPAC Name: 2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-fluorobenzamide Traditional Name: 2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-fluoro-benzamide Formula: C22H20ClFN2OS MolecularWeight: 414.923403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN2OS/c23-20-11-18(24)5-6-19(20)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)