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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(2-pyridylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-2-[[4-[oxo-(2-pyridinylamino)methyl]phenyl]methyl]-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-[4-(2-pyridylcarbamoyl)benzyl]isoquinoline-3-carboxylic acid Formula: C29H20BrN3O4 MolecularWeight: 554.3908

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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=C(C=C4)C(=O)NC5=CC=CC=N5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=N5)C(=O)O

InChI

InChI=1S/C29H20BrN3O4/c30-21-13-14-22-23(16-21)25(19-6-2-1-3-7-19)26(29(36)37)33(28(22)35)17-18-9-11-20(12-10-18)27(34)32-24-8-4-5-15-31-24/h1-16H,17H2,(H,36,37)(H,31,32,34)