1-chloranyl-N-[2,2,2-tris(fluoranyl)ethyl]isoquinoline-3-carboxamide

Systemtic Name: 1-chloranyl-N-[2,2,2-tris(fluoranyl)ethyl]isoquinoline-3-carboxamide Openeye Name: 1-chloro-N-(2,2,2-trifluoroethyl)isoquinoline-3-carboxamide CAS Name: 1-chloro-N-(2,2,2-trifluoroethyl)-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-(2,2,2-trifluoroethyl)isoquinoline-3-carboxamide Traditional Name: 1-chloro-N-(2,2,2-trifluoroethyl)isoquinoline-3-carboxamide Formula: C12H8ClF3N2O MolecularWeight: 288.65293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2Cl)C(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2Cl)C(=O)NCC(F)(F)F

InChI

InChI=1S/C12H8ClF3N2O/c13-10-8-4-2-1-3-7(8)5-9(18-10)11(19)17-6-12(14,15)16/h1-5H,6H2,(H,17,19)