(3E)-3-[(isoquinolin-5-ylamino)-oxidanyl-methylidene]-1-phenyl-2H-quinolin-4-one

Systemtic Name: (3E)-3-[(isoquinolin-5-ylamino)-oxidanyl-methylidene]-1-phenyl-2H-quinolin-4-one Openeye Name: (3E)-3-[hydroxy-(5-isoquinolylamino)methylene]-1-phenyl-2H-quinolin-4-one CAS Name: (3E)-3-[hydroxy-(5-isoquinolinylamino)methylidene]-1-phenyl-2H-quinolin-4-one IUPAC Name: (3E)-3-[hydroxy-(isoquinolin-5-ylamino)methylidene]-1-phenyl-2H-quinolin-4-one Traditional Name: (3E)-3-[hydroxy-(5-isoquinolylamino)methylene]-1-phenyl-2H-quinolin-4-one Formula: C25H19N3O2 MolecularWeight: 393.43726

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(NC2=CC=CC3=C2C=CN=C3)O)C(=O)C4=CC=CC=C4N1C5=CC=CC=C5

Isomeric SMILES

C1/C(=C(/NC2=CC=CC3=C2C=CN=C3)\O)/C(=O)C4=CC=CC=C4N1C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O2/c29-24-20-10-4-5-12-23(20)28(18-8-2-1-3-9-18)16-21(24)25(30)27-22-11-6-7-17-15-26-14-13-19(17)22/h1-15,27,30H,16H2/b25-21+