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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(4-pyridylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-2-[[4-[oxo-(pyridin-4-ylamino)methyl]phenyl]methyl]-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-[4-(4-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=NC=C5)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=NC=C5)C(=O)O

InChI

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