3-azanyl-2-(2-fluoranyl-4-methyl-phenyl)isoquinolin-1-one

Systemtic Name: 3-azanyl-2-(2-fluoranyl-4-methyl-phenyl)isoquinolin-1-one Openeye Name: 3-amino-2-(2-fluoro-4-methyl-phenyl)isoquinolin-1-one CAS Name: 3-amino-2-(2-fluoro-4-methylphenyl)-1-isoquinolinone IUPAC Name: 3-amino-2-(2-fluoro-4-methylphenyl)isoquinolin-1-one Traditional Name: 3-amino-2-(2-fluoro-4-methyl-phenyl)isocarbostyril Formula: C16H13FN2O MolecularWeight: 268.285623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC3=CC=CC=C3C2=O)N)F

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC3=CC=CC=C3C2=O)N)F

InChI

InChI=1S/C16H13FN2O/c1-10-6-7-14(13(17)8-10)19-15(18)9-11-4-2-3-5-12(11)16(19)20/h2-9H,18H2,1H3