5-fluoranyl-3-(4-phenoxyphenyl)-2-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 5-fluoranyl-3-(4-phenoxyphenyl)-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 2-benzyl-5-fluoro-3-(4-phenoxyphenyl)isoquinolin-1-one CAS Name: 5-fluoro-3-(4-phenoxyphenyl)-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 2-benzyl-5-fluoro-3-(4-phenoxyphenyl)isoquinolin-1-one Traditional Name: 2-benzyl-5-fluoro-3-(4-phenoxyphenyl)isocarbostyril Formula: C28H20FNO2 MolecularWeight: 421.462303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC3=C(C2=O)C=CC=C3F)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC3=C(C2=O)C=CC=C3F)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H20FNO2/c29-26-13-7-12-24-25(26)18-27(30(28(24)31)19-20-8-3-1-4-9-20)21-14-16-23(17-15-21)32-22-10-5-2-6-11-22/h1-18H,19H2