7-(5-oxidanylidene-3-phenylmethoxy-2H-pyrrol-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 7-(5-oxidanylidene-3-phenylmethoxy-2H-pyrrol-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-(3-benzyloxy-5-oxo-2H-pyrrol-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(5-oxo-3-phenylmethoxy-2H-pyrrol-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(5-oxo-3-phenylmethoxy-2H-pyrrol-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(4-benzoxy-2-keto-3-pyrrolin-1-yl)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C27H19F3N2O3 MolecularWeight: 476.44657

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=O)N1C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F)OCC5=CC=CC=C5

Isomeric SMILES

C1C(=CC(=O)N1C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F)OCC5=CC=CC=C5

InChI

InChI=1S/C27H19F3N2O3/c28-27(29,30)23-9-5-4-8-21(23)24-12-18-10-11-19(13-22(18)26(34)31-24)32-15-20(14-25(32)33)35-16-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,31,34)