4-oxidanylidene-N-[[4-[[2,2,2-tris(fluoranyl)ethylamino]methyl]phenyl]methyl]-1H-quinoline-3-carboxamide

Systemtic Name: 4-oxidanylidene-N-[[4-[[2,2,2-tris(fluoranyl)ethylamino]methyl]phenyl]methyl]-1H-quinoline-3-carboxamide Openeye Name: 4-oxo-N-[[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-1H-quinoline-3-carboxamide CAS Name: 4-oxo-N-[[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-1H-quinoline-3-carboxamide IUPAC Name: 4-oxo-N-[[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-1H-quinoline-3-carboxamide Traditional Name: 4-keto-N-[4-[(2,2,2-trifluoroethylamino)methyl]benzyl]-1H-quinoline-3-carboxamide Formula: C20H18F3N3O2 MolecularWeight: 389.37103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)CNCC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)CNCC(F)(F)F

InChI

InChI=1S/C20H18F3N3O2/c21-20(22,23)12-24-9-13-5-7-14(8-6-13)10-26-19(28)16-11-25-17-4-2-1-3-15(17)18(16)27/h1-8,11,24H,9-10,12H2,(H,25,27)(H,26,28)