(Z)-3-(1-azanylisoquinolin-7-yl)-N-(2-bromanyl-4-imidazol-1-yl-phenyl)-2-fluoranyl-but-2-enamide

Systemtic Name: (Z)-3-(1-azanylisoquinolin-7-yl)-N-(2-bromanyl-4-imidazol-1-yl-phenyl)-2-fluoranyl-but-2-enamide Openeye Name: (Z)-3-(1-amino-7-isoquinolyl)-N-(2-bromo-4-imidazol-1-yl-phenyl)-2-fluoro-but-2-enamide CAS Name: (Z)-3-(1-amino-7-isoquinolinyl)-N-[2-bromo-4-(1-imidazolyl)phenyl]-2-fluoro-2-butenamide IUPAC Name: (Z)-3-(1-aminoisoquinolin-7-yl)-N-(2-bromo-4-imidazol-1-ylphenyl)-2-fluorobut-2-enamide Traditional Name: (Z)-3-(1-amino-7-isoquinolyl)-N-(2-bromo-4-imidazol-1-yl-phenyl)-2-fluoro-but-2-enamide Formula: C22H17BrFN5O MolecularWeight: 466.305683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=C(C=C(C=C1)N2C=CN=C2)Br)F)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C/C(=C(\C(=O)NC1=C(C=C(C=C1)N2C=CN=C2)Br)/F)/C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C22H17BrFN5O/c1-13(15-3-2-14-6-7-27-21(25)17(14)10-15)20(24)22(30)28-19-5-4-16(11-18(19)23)29-9-8-26-12-29/h2-12H,1H3,(H2,25,27)(H,28,30)/b20-13-