6-bromanyl-1-oxidanylidene-4-phenyl-2-(pyridin-4-ylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-(pyridin-4-ylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-(4-pyridylmethyl)isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-(pyridin-4-ylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-(pyridin-4-ylmethyl)isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-(4-pyridylmethyl)isoquinoline-3-carboxylic acid Formula: C22H15BrN2O3 MolecularWeight: 435.2701

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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=CC=NC=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN2O3/c23-16-6-7-17-18(12-16)19(15-4-2-1-3-5-15)20(22(27)28)25(21(17)26)13-14-8-10-24-11-9-14/h1-12H,13H2,(H,27,28)