N-(5-bromanylpyridin-2-yl)-4-oxidanylidene-1-phenyl-3H-isoquinoline-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-4-oxidanylidene-1-phenyl-3H-isoquinoline-3-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-4-oxo-1-phenyl-3H-isoquinoline-3-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-4-oxo-1-phenyl-3H-isoquinoline-3-carboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-4-oxo-1-phenyl-3H-isoquinoline-3-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-4-keto-1-phenyl-3H-isoquinoline-3-carboxamide Formula: C21H14BrN3O2 MolecularWeight: 420.25876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)C3=CC=CC=C32)C(=O)NC4=NC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)C3=CC=CC=C32)C(=O)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C21H14BrN3O2/c22-14-10-11-17(23-12-14)24-21(27)19-20(26)16-9-5-4-8-15(16)18(25-19)13-6-2-1-3-7-13/h1-12,19H,(H,23,24,27)