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

Systemtic Name: (Z)-3-(1-azanylisoquinolin-7-yl)-N-[2-bromanyl-4-(3-methylsulfonylpyridin-4-yl)phenyl]-2-fluoranyl-but-2-enamide Openeye Name: (Z)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(3-methylsulfonyl-4-pyridyl)phenyl]-2-fluoro-but-2-enamide CAS Name: (Z)-3-(1-amino-7-isoquinolinyl)-N-[2-bromo-4-(3-methylsulfonyl-4-pyridinyl)phenyl]-2-fluoro-2-butenamide IUPAC Name: (Z)-3-(1-aminoisoquinolin-7-yl)-N-[2-bromo-4-(3-methylsulfonylpyridin-4-yl)phenyl]-2-fluorobut-2-enamide Traditional Name: (Z)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(3-mesyl-4-pyridyl)phenyl]-2-fluoro-but-2-enamide Formula: C25H20BrFN4O3S MolecularWeight: 555.418703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20BrFN4O3S/c1-14(16-4-3-15-7-10-30-24(28)19(15)11-16)23(27)25(32)31-21-6-5-17(12-20(21)26)18-8-9-29-13-22(18)35(2,33)34/h3-13H,1-2H3,(H2,28,30)(H,31,32)/b23-14-