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

Systemtic Name: 6-bromanyl-2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[2-(4-cyanophenyl)-2-oxo-ethyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[2-(4-cyanophenyl)-2-oxoethyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[2-(4-cyanophenyl)-2-oxoethyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[2-(4-cyanophenyl)-2-keto-ethyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H15BrN2O4 MolecularWeight: 487.3016

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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)CC(=O)C4=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)CC(=O)C4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C25H15BrN2O4/c26-18-10-11-19-20(12-18)22(17-4-2-1-3-5-17)23(25(31)32)28(24(19)30)14-21(29)16-8-6-15(13-27)7-9-16/h1-12H,14H2,(H,31,32)