4-bromanyl-6-[(isoquinolin-7-ylamino)methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[(isoquinolin-7-ylamino)methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[(7-isoquinolylamino)methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[(7-isoquinolinylamino)methylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[(isoquinolin-7-ylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[(7-isoquinolylamino)methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C17H13BrN2O2 MolecularWeight: 357.20132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC3=C(C=C2)C=CN=C3)C1=O)Br

Isomeric SMILES

COC1=CC(=CC(=CNC2=CC3=C(C=C2)C=CN=C3)C1=O)Br

InChI

InChI=1S/C17H13BrN2O2/c1-22-16-8-14(18)6-13(17(16)21)10-20-15-3-2-11-4-5-19-9-12(11)7-15/h2-10,20H,1H3