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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-2-(pyrazin-2-ylcarbonylamino)isoquinoline-4-carboxamide Openeye Name: N-(2,4-difluorophenyl)-1-oxo-2-(pyrazine-2-carbonylamino)isoquinoline-4-carboxamide CAS Name: N-(2,4-difluorophenyl)-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]-4-isoquinolinecarboxamide IUPAC Name: N-(2,4-difluorophenyl)-1-oxo-2-(pyrazine-2-carbonylamino)isoquinoline-4-carboxamide Traditional Name: N-(2,4-difluorophenyl)-1-keto-2-(pyrazinoylamino)isoquinoline-4-carboxamide Formula: C21H13F2N5O3 MolecularWeight: 421.356426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)NC(=O)C3=NC=CN=C3)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)NC(=O)C3=NC=CN=C3)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H13F2N5O3/c22-12-5-6-17(16(23)9-12)26-19(29)15-11-28(21(31)14-4-2-1-3-13(14)15)27-20(30)18-10-24-7-8-25-18/h1-11H,(H,26,29)(H,27,30)