N-[4-(4-bromanylphenoxy)phenyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[4-(4-bromanylphenoxy)phenyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[4-(4-bromophenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[4-(4-bromophenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[4-(4-bromophenoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[4-(4-bromophenoxy)phenyl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C22H15BrN2O3 MolecularWeight: 435.2701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrN2O3/c23-15-5-9-17(10-6-15)28-18-11-7-16(8-12-18)24-22(27)20-13-14-3-1-2-4-19(14)21(26)25-20/h1-13H,(H,24,27)(H,25,26)