N-[1-oxidanylidene-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[1-oxidanylidene-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-2-(2-thienyl)acetamide CAS Name: N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-2-thiophen-2-ylacetamide IUPAC Name: N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-2-thiophen-2-ylacetamide Traditional Name: N-[1-keto-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-2-(2-thienyl)acetamide Formula: C22H15F3N2O2S MolecularWeight: 428.42691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(C=C(C=C3)NC(=O)CC4=CC=CS4)C(=O)N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=C(C=C(C=C3)NC(=O)CC4=CC=CS4)C(=O)N2)C(F)(F)F

InChI

InChI=1S/C22H15F3N2O2S/c23-22(24,25)18-6-2-1-5-16(18)19-10-13-7-8-14(11-17(13)21(29)27-19)26-20(28)12-15-4-3-9-30-15/h1-11H,12H2,(H,26,28)(H,27,29)