N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]-4-fluoro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]-4-fluoro-benzamide Formula: C23H18F4N2O MolecularWeight: 414.395433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18F4N2O/c24-19-8-5-16(6-9-19)22(30)28-20-13-18(23(25,26)27)7-10-21(20)29-12-11-15-3-1-2-4-17(15)14-29/h1-10,13H,11-12,14H2,(H,28,30)