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

Systemtic Name: (E)-3-(1-azanylisoquinolin-7-yl)-2-fluoranyl-N-[4-(3-methylsulfonylpyridin-4-yl)phenyl]but-2-enamide Openeye Name: (E)-3-(1-amino-7-isoquinolyl)-2-fluoro-N-[4-(3-methylsulfonyl-4-pyridyl)phenyl]but-2-enamide CAS Name: (E)-3-(1-amino-7-isoquinolinyl)-2-fluoro-N-[4-(3-methylsulfonyl-4-pyridinyl)phenyl]-2-butenamide IUPAC Name: (E)-3-(1-aminoisoquinolin-7-yl)-2-fluoro-N-[4-(3-methylsulfonylpyridin-4-yl)phenyl]but-2-enamide Traditional Name: (E)-3-(1-amino-7-isoquinolyl)-2-fluoro-N-[4-(3-mesyl-4-pyridyl)phenyl]but-2-enamide Formula: C25H21FN4O3S MolecularWeight: 476.522643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21FN4O3S/c1-15(18-4-3-17-9-12-29-24(27)21(17)13-18)23(26)25(31)30-19-7-5-16(6-8-19)20-10-11-28-14-22(20)34(2,32)33/h3-14H,1-2H3,(H2,27,29)(H,30,31)/b23-15+