N-(2-fluorophenyl)-1-oxidanylidene-2-(pyrazin-2-ylcarbonylamino)isoquinoline-4-carboxamide

Systemtic Name: N-(2-fluorophenyl)-1-oxidanylidene-2-(pyrazin-2-ylcarbonylamino)isoquinoline-4-carboxamide Openeye Name: N-(2-fluorophenyl)-1-oxo-2-(pyrazine-2-carbonylamino)isoquinoline-4-carboxamide CAS Name: N-(2-fluorophenyl)-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]-4-isoquinolinecarboxamide IUPAC Name: N-(2-fluorophenyl)-1-oxo-2-(pyrazine-2-carbonylamino)isoquinoline-4-carboxamide Traditional Name: N-(2-fluorophenyl)-1-keto-2-(pyrazinoylamino)isoquinoline-4-carboxamide Formula: C21H14FN5O3 MolecularWeight: 403.365963

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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=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)NC(=O)C3=NC=CN=C3)C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C21H14FN5O3/c22-16-7-3-4-8-17(16)25-19(28)15-12-27(21(30)14-6-2-1-5-13(14)15)26-20(29)18-11-23-9-10-24-18/h1-12H,(H,25,28)(H,26,29)