2-[3-[[3-fluoranyl-4-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[3-[[3-fluoranyl-4-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[3-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[3-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[3-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[3-[[3-fluoro-4-(trifluoromethyl)benzyl]amino]propylamino]-4-quinolone Formula: C20H19F4N3O MolecularWeight: 393.377973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(N2)NCCCNCC3=CC(=C(C=C3)C(F)(F)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(N2)NCCCNCC3=CC(=C(C=C3)C(F)(F)F)F

InChI

InChI=1S/C20H19F4N3O/c21-16-10-13(6-7-15(16)20(22,23)24)12-25-8-3-9-26-19-11-18(28)14-4-1-2-5-17(14)27-19/h1-2,4-7,10-11,25H,3,8-9,12H2,(H2,26,27,28)