3-azanyl-2-(5-fluoranyl-2-methyl-phenyl)isoquinolin-1-one

Systemtic Name: 3-azanyl-2-(5-fluoranyl-2-methyl-phenyl)isoquinolin-1-one Openeye Name: 3-amino-2-(5-fluoro-2-methyl-phenyl)isoquinolin-1-one CAS Name: 3-amino-2-(5-fluoro-2-methylphenyl)-1-isoquinolinone IUPAC Name: 3-amino-2-(5-fluoro-2-methylphenyl)isoquinolin-1-one Traditional Name: 3-amino-2-(5-fluoro-2-methyl-phenyl)isocarbostyril Formula: C16H13FN2O MolecularWeight: 268.285623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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