2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)-1-oxo-N-(2-pyridylmethyl)isoquinoline-4-carboxamide CAS Name: 2-(2,4-difluorophenyl)-1-oxo-N-(2-pyridinylmethyl)-4-isoquinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide Traditional Name: 2-(2,4-difluorophenyl)-1-keto-N-(2-pyridylmethyl)isoquinoline-4-carboxamide Formula: C22H15F2N3O2 MolecularWeight: 391.370206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)C3=C(C=C(C=C3)F)F)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)C3=C(C=C(C=C3)F)F)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H15F2N3O2/c23-14-8-9-20(19(24)11-14)27-13-18(16-6-1-2-7-17(16)22(27)29)21(28)26-12-15-5-3-4-10-25-15/h1-11,13H,12H2,(H,26,28)