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

Systemtic Name: (Z)-3-(1-azanylisoquinolin-7-yl)-N-(2-bromanyl-4-pyrrol-1-yl-phenyl)-2-fluoranyl-but-2-enamide Openeye Name: (Z)-3-(1-amino-7-isoquinolyl)-N-(2-bromo-4-pyrrol-1-yl-phenyl)-2-fluoro-but-2-enamide CAS Name: (Z)-3-(1-amino-7-isoquinolinyl)-N-[2-bromo-4-(1-pyrrolyl)phenyl]-2-fluoro-2-butenamide IUPAC Name: (Z)-3-(1-aminoisoquinolin-7-yl)-N-(2-bromo-4-pyrrol-1-ylphenyl)-2-fluorobut-2-enamide Traditional Name: (Z)-3-(1-amino-7-isoquinolyl)-N-(2-bromo-4-pyrrol-1-yl-phenyl)-2-fluoro-but-2-enamide Formula: C23H18BrFN4O MolecularWeight: 465.317623

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H18BrFN4O/c1-14(16-5-4-15-8-9-27-22(26)18(15)12-16)21(25)23(30)28-20-7-6-17(13-19(20)24)29-10-2-3-11-29/h2-13H,1H3,(H2,26,27)(H,28,30)/b21-14-