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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-(2-phenylethanoyl)isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-(2-phenylacetyl)isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-2-(1-oxo-2-phenylethyl)-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-(2-phenylacetyl)isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-(2-phenylacetyl)isoquinoline-3-carboxylic acid Formula: C24H16BrNO4 MolecularWeight: 462.29214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H16BrNO4/c25-17-11-12-18-19(14-17)21(16-9-5-2-6-10-16)22(24(29)30)26(23(18)28)20(27)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,29,30)