2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]isoquinolin-1-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]isoquinolin-1-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]isoquinolin-1-one CAS Name: 2-[2-(4-bromophenyl)-2-oxoethyl]-1-isoquinolinone IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]isoquinolin-1-one Traditional Name: 2-[2-(4-bromophenyl)-2-keto-ethyl]isocarbostyril Formula: C17H12BrNO2 MolecularWeight: 342.18668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H12BrNO2/c18-14-7-5-13(6-8-14)16(20)11-19-10-9-12-3-1-2-4-15(12)17(19)21/h1-10H,11H2