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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[[3-(phenylcarbonyl)phenyl]methyl]isoquinoline-3-carboxylic acid Openeye Name: 2-[(3-benzoylphenyl)methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[(3-benzoylphenyl)methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[(3-benzoylphenyl)methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(3-benzoylbenzyl)-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C30H20BrNO4 MolecularWeight: 538.3881

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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=CC(=C4)C(=O)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=CC(=C4)C(=O)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H20BrNO4/c31-23-14-15-24-25(17-23)26(20-9-3-1-4-10-20)27(30(35)36)32(29(24)34)18-19-8-7-13-22(16-19)28(33)21-11-5-2-6-12-21/h1-17H,18H2,(H,35,36)