2-[2,6-bis(fluoranyl)phenyl]carbonyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-[2,6-bis(fluoranyl)phenyl]carbonyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(2,6-difluorobenzoyl)-1H-isoquinoline-1-carbonitrile CAS Name: 2-[(2,6-difluorophenyl)-oxomethyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(2,6-difluorobenzoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: 2-(2,6-difluorobenzoyl)-1H-isoquinoline-1-carbonitrile Formula: C17H10F2N2O MolecularWeight: 296.270906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)C(=O)C3=C(C=CC=C3F)F)C#N

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)C(=O)C3=C(C=CC=C3F)F)C#N

InChI

InChI=1S/C17H10F2N2O/c18-13-6-3-7-14(19)16(13)17(22)21-9-8-11-4-1-2-5-12(11)15(21)10-20/h1-9,15H