7-(3-phenylprop-1-ynyl)-2-[[3-(trifluoromethyl)phenyl]methyl]isoquinolin-3-one

Systemtic Name: 7-(3-phenylprop-1-ynyl)-2-[[3-(trifluoromethyl)phenyl]methyl]isoquinolin-3-one Openeye Name: 7-(3-phenylprop-1-ynyl)-2-[[3-(trifluoromethyl)phenyl]methyl]isoquinolin-3-one CAS Name: 7-(3-phenylprop-1-ynyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3-isoquinolinone IUPAC Name: 7-(3-phenylprop-1-ynyl)-2-[[3-(trifluoromethyl)phenyl]methyl]isoquinolin-3-one Traditional Name: 7-(3-phenylprop-1-ynyl)-2-[3-(trifluoromethyl)benzyl]-3-isoquinolone Formula: C26H18F3NO MolecularWeight: 417.42243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=CN(C(=O)C=C3C=C2)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=CN(C(=O)C=C3C=C2)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C26H18F3NO/c27-26(28,29)24-11-5-10-21(15-24)17-30-18-23-14-20(12-13-22(23)16-25(30)31)9-4-8-19-6-2-1-3-7-19/h1-3,5-7,10-16,18H,8,17H2