2,2,2-tris(fluoranyl)-N-[4-(5-methyl-1-oxidanylidene-2H-isoquinolin-3-yl)piperidin-1-yl]ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-[4-(5-methyl-1-oxidanylidene-2H-isoquinolin-3-yl)piperidin-1-yl]ethanamide Openeye Name: 2,2,2-trifluoro-N-[4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)-1-piperidyl]acetamide CAS Name: 2,2,2-trifluoro-N-[4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)-1-piperidinyl]acetamide IUPAC Name: 2,2,2-trifluoro-N-[4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)piperidin-1-yl]acetamide Traditional Name: 2,2,2-trifluoro-N-[4-(1-keto-5-methyl-2H-isoquinolin-3-yl)piperidino]acetamide Formula: C17H18F3N3O2 MolecularWeight: 353.33893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(CC3)NC(=O)C(F)(F)F

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(CC3)NC(=O)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2/c1-10-3-2-4-12-13(10)9-14(21-15(12)24)11-5-7-23(8-6-11)22-16(25)17(18,19)20/h2-4,9,11H,5-8H2,1H3,(H,21,24)(H,22,25)