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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2,4-bis(fluoranyl)benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2,4-difluoro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2,4-difluorobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2,4-difluoro-benzamide Formula: C22H20F2N2OS MolecularWeight: 398.468806

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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)F)C4=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H20F2N2OS/c23-18-5-6-19(20(24)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)