(1R)-6,7-dimethoxy-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1R)-6,7-dimethoxy-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1R)-6,7-dimethoxy-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1R)-6,7-dimethoxy-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1R)-6,7-dimethoxy-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1R)-6,7-dimethoxy-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C14H13F3N2O3 MolecularWeight: 314.25983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C(F)(F)F)C#N)OC

Isomeric SMILES

COC1=C(C=C2[C@@H](N(CCC2=C1)C(=O)C(F)(F)F)C#N)OC

InChI

InChI=1S/C14H13F3N2O3/c1-21-11-5-8-3-4-19(13(20)14(15,16)17)10(7-18)9(8)6-12(11)22-2/h5-6,10H,3-4H2,1-2H3/t10-/m0/s1