3-azanyl-2-[2-(3-fluorophenyl)ethyl]isoquinolin-1-one

Systemtic Name: 3-azanyl-2-[2-(3-fluorophenyl)ethyl]isoquinolin-1-one Openeye Name: 3-amino-2-[2-(3-fluorophenyl)ethyl]isoquinolin-1-one CAS Name: 3-amino-2-[2-(3-fluorophenyl)ethyl]-1-isoquinolinone IUPAC Name: 3-amino-2-[2-(3-fluorophenyl)ethyl]isoquinolin-1-one Traditional Name: 3-amino-2-[2-(3-fluorophenyl)ethyl]isocarbostyril Formula: C17H15FN2O MolecularWeight: 282.312203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N(C2=O)CCC3=CC(=CC=C3)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N(C2=O)CCC3=CC(=CC=C3)F)N

InChI

InChI=1S/C17H15FN2O/c18-14-6-3-4-12(10-14)8-9-20-16(19)11-13-5-1-2-7-15(13)17(20)21/h1-7,10-11H,8-9,19H2