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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[[4-(phenylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(phenylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid CAS Name: 2-[[4-[anilino(oxo)methyl]phenyl]methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(phenylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-[4-(phenylcarbamoyl)benzyl]isoquinoline-3-carboxylic acid Formula: C30H21BrN2O4 MolecularWeight: 553.40274

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

InChI

InChI=1S/C30H21BrN2O4/c31-22-15-16-24-25(17-22)26(20-7-3-1-4-8-20)27(30(36)37)33(29(24)35)18-19-11-13-21(14-12-19)28(34)32-23-9-5-2-6-10-23/h1-17H,18H2,(H,32,34)(H,36,37)