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

Systemtic Name: 6-bromanyl-2-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(4-chlorobenzoyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(4-chlorobenzoyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-(4-chlorobenzoyl)benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C30H19BrClNO4 MolecularWeight: 572.83316

Click to see the large picture

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

InChI

InChI=1S/C30H19BrClNO4/c31-22-12-15-24-25(16-22)26(19-4-2-1-3-5-19)27(30(36)37)33(29(24)35)17-18-6-8-20(9-7-18)28(34)21-10-13-23(32)14-11-21/h1-16H,17H2,(H,36,37)