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

Systemtic Name: 6-bromanyl-2-[(4-cyanophenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(4-cyanophenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(4-cyanophenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(4-cyanophenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(4-cyanobenzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H15BrN2O3 MolecularWeight: 459.2915

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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#N)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#N)C(=O)O

InChI

InChI=1S/C24H15BrN2O3/c25-18-10-11-19-20(12-18)21(17-4-2-1-3-5-17)22(24(29)30)27(23(19)28)14-16-8-6-15(13-26)7-9-16/h1-12H,14H2,(H,29,30)