6-bromanyl-2-[(6-chloranylpyridin-3-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(6-chloranylpyridin-3-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(6-chloro-3-pyridyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(6-chloro-3-pyridinyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(6-chloropyridin-3-yl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[(6-chloro-3-pyridyl)methyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C22H14BrClN2O3 MolecularWeight: 469.71516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CN=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CN=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H14BrClN2O3/c23-15-7-8-16-17(10-15)19(14-4-2-1-3-5-14)20(22(28)29)26(21(16)27)12-13-6-9-18(24)25-11-13/h1-11H,12H2,(H,28,29)