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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-[3-(trifluoromethyl)benzyl]isoquinoline-3-carboxylic acid Formula: C24H15BrF3NO3 MolecularWeight: 502.28001

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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(=CC=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC(=CC=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C24H15BrF3NO3/c25-17-9-10-18-19(12-17)20(15-6-2-1-3-7-15)21(23(31)32)29(22(18)30)13-14-5-4-8-16(11-14)24(26,27)28/h1-12H,13H2,(H,31,32)