3-azanyl-2-[2,2,2-tris(fluoranyl)ethyl]isoquinolin-1-one

Systemtic Name: 3-azanyl-2-[2,2,2-tris(fluoranyl)ethyl]isoquinolin-1-one Openeye Name: 3-amino-2-(2,2,2-trifluoroethyl)isoquinolin-1-one CAS Name: 3-amino-2-(2,2,2-trifluoroethyl)-1-isoquinolinone IUPAC Name: 3-amino-2-(2,2,2-trifluoroethyl)isoquinolin-1-one Traditional Name: 3-amino-2-(2,2,2-trifluoroethyl)isocarbostyril Formula: C11H9F3N2O MolecularWeight: 242.19717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9F3N2O/c12-11(13,14)6-16-9(15)5-7-3-1-2-4-8(7)10(16)17/h1-5H,6,15H2