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

Systemtic Name: 6-bromanyl-2-[(4-morpholin-4-ylcarbonylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[4-morpholinyl(oxo)methyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[4-(morpholine-4-carbonyl)benzyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C28H23BrN2O5 MolecularWeight: 547.39662

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)C2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H23BrN2O5/c29-21-10-11-22-23(16-21)24(19-4-2-1-3-5-19)25(28(34)35)31(27(22)33)17-18-6-8-20(9-7-18)26(32)30-12-14-36-15-13-30/h1-11,16H,12-15,17H2,(H,34,35)