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

Systemtic Name: (Z)-3-(1-azanylisoquinolin-7-yl)-N-(2-bromanyl-4-pyrrolidin-1-ylcarbonyl-phenyl)-2-fluoranyl-but-2-enamide Openeye Name: (Z)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(pyrrolidine-1-carbonyl)phenyl]-2-fluoro-but-2-enamide CAS Name: (Z)-3-(1-amino-7-isoquinolinyl)-N-[2-bromo-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-2-fluoro-2-butenamide IUPAC Name: (Z)-3-(1-aminoisoquinolin-7-yl)-N-[2-bromo-4-(pyrrolidine-1-carbonyl)phenyl]-2-fluorobut-2-enamide Traditional Name: (Z)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(pyrrolidine-1-carbonyl)phenyl]-2-fluoro-but-2-enamide Formula: C24H22BrFN4O2 MolecularWeight: 497.359483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=C(C=C(C=C1)C(=O)N2CCCC2)Br)F)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C/C(=C(\C(=O)NC1=C(C=C(C=C1)C(=O)N2CCCC2)Br)/F)/C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C24H22BrFN4O2/c1-14(16-5-4-15-8-9-28-22(27)18(15)12-16)21(26)23(31)29-20-7-6-17(13-19(20)25)24(32)30-10-2-3-11-30/h4-9,12-13H,2-3,10-11H2,1H3,(H2,27,28)(H,29,31)/b21-14-