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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethyl)-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(1H-benzimidazol-2-ylmethyl)-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(1H-benzimidazol-2-ylmethyl)-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(1H-benzimidazol-2-ylmethyl)-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(1H-benzimidazol-2-ylmethyl)-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H16BrN3O3 MolecularWeight: 474.30614

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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=C5N4)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=C5N4)C(=O)O

InChI

InChI=1S/C24H16BrN3O3/c25-15-10-11-16-17(12-15)21(14-6-2-1-3-7-14)22(24(30)31)28(23(16)29)13-20-26-18-8-4-5-9-19(18)27-20/h1-12H,13H2,(H,26,27)(H,30,31)