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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[[4-(pyrrolidin-1-ylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(pyrrolidin-1-ylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-2-[[4-[oxo-(1-pyrrolidinylamino)methyl]phenyl]methyl]-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(pyrrolidin-1-ylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-[4-(pyrrolidinocarbamoyl)benzyl]isoquinoline-3-carboxylic acid Formula: C28H24BrN3O4 MolecularWeight: 546.41186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)NC(=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

C1CCN(C1)NC(=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/C28H24BrN3O4/c29-21-12-13-22-23(16-21)24(19-6-2-1-3-7-19)25(28(35)36)32(27(22)34)17-18-8-10-20(11-9-18)26(33)30-31-14-4-5-15-31/h1-3,6-13,16H,4-5,14-15,17H2,(H,30,33)(H,35,36)