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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-(quinolin-2-ylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-(2-quinolylmethyl)isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-(2-quinolinylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-(quinolin-2-ylmethyl)isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-(2-quinolylmethyl)isoquinoline-3-carboxylic acid Formula: C26H17BrN2O3 MolecularWeight: 485.32878

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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=NC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=NC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C26H17BrN2O3/c27-18-11-13-20-21(14-18)23(17-7-2-1-3-8-17)24(26(31)32)29(25(20)30)15-19-12-10-16-6-4-5-9-22(16)28-19/h1-14H,15H2,(H,31,32)